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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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/WV-kun-137c79c3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WV-kun-137c79c3/inputs/seq.fa: 1
curr_seq: _UGGUGCGAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCGAGAACACAGGAUCU
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -79.444349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444349 (E_RNA)
where:
Base-Base interactions energy: -1.262
where: short stacking energy: -1.262
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: -126.701071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.701071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.701071 (E_RNA)
where:
Base-Base interactions energy: -57.442
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.077
local terms energy: -69.181515
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -119.692367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.692367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.692367 (E_RNA)
where:
Base-Base interactions energy: -58.624
where: short stacking energy: -52.315
Base-Backbone interact. energy: 1.122
local terms energy: -62.190397
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -118.750881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.750881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.750881 (E_RNA)
where:
Base-Base interactions energy: -51.414
where: short stacking energy: -51.414
Base-Backbone interact. energy: -0.085
local terms energy: -67.251937
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -129.376413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.376413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.376413 (E_RNA)
where:
Base-Base interactions energy: -61.574
where: short stacking energy: -50.057
Base-Backbone interact. energy: -0.264
local terms energy: -67.538320
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -95.023318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.023318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.023318 (E_RNA)
where:
Base-Base interactions energy: -46.083
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.276
local terms energy: -48.664834
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -111.194713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.194713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.194713 (E_RNA)
where:
Base-Base interactions energy: -62.958
where: short stacking energy: -44.189
Base-Backbone interact. energy: 2.151
local terms energy: -50.388232
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -102.466335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466335 (E_RNA)
where:
Base-Base interactions energy: -44.079
where: short stacking energy: -38.453
Base-Backbone interact. energy: -1.179
local terms energy: -57.208428
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -83.426177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.426177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.426177 (E_RNA)
where:
Base-Base interactions energy: -27.363
where: short stacking energy: -14.951
Base-Backbone interact. energy: -0.058
local terms energy: -56.005327
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -81.587087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587087 (E_RNA)
where:
Base-Base interactions energy: -20.171
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.081
local terms energy: -61.335752
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -81.756838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.756838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.756838 (E_RNA)
where:
Base-Base interactions energy: -29.595
where: short stacking energy: -29.595
Base-Backbone interact. energy: -1.003
local terms energy: -51.157967
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -144.520806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.520806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.520806 (E_RNA)
where:
Base-Base interactions energy: -80.394
where: short stacking energy: -53.463
Base-Backbone interact. energy: 0.127
local terms energy: -64.254262
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -6.915
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -119.148065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.148065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.148065 (E_RNA)
where:
Base-Base interactions energy: -52.483
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.015
local terms energy: -66.649867
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -114.701302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.701302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.701302 (E_RNA)
where:
Base-Base interactions energy: -54.676
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.273
local terms energy: -59.752276
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -116.271682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.271682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.271682 (E_RNA)
where:
Base-Base interactions energy: -51.527
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.012
local terms energy: -64.732686
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -10.749
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: 3
Temperature: 1.100000
Total energy: -151.633493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.633493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.633493 (E_RNA)
where:
Base-Base interactions energy: -97.848
where: short stacking energy: -43.791
Base-Backbone interact. energy: -1.943
local terms energy: -51.842449
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -5.316
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -117.817804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.817804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.817804 (E_RNA)
where:
Base-Base interactions energy: -58.418
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.051
local terms energy: -59.348944
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -129.862016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.862016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.862016 (E_RNA)
where:
Base-Base interactions energy: -73.152
where: short stacking energy: -39.533
Base-Backbone interact. energy: -1.040
local terms energy: -55.669801
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.301
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -95.276571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.276571 (E_RNA)
where:
Base-Base interactions energy: -54.180
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.138
local terms energy: -40.957969
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -1.480
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -82.903857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903857 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.203
local terms energy: -46.403426
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.853
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -84.188812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.188812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.188812 (E_RNA)
where:
Base-Base interactions energy: -30.331
where: short stacking energy: -30.331
Base-Backbone interact. energy: -0.072
local terms energy: -53.786253
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -151.346796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.346796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.346796 (E_RNA)
where:
Base-Base interactions energy: -81.836
where: short stacking energy: -47.496
Base-Backbone interact. energy: -0.094
local terms energy: -69.416748
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -11.788
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: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -128.317149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.317149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.317149 (E_RNA)
where:
Base-Base interactions energy: -59.481
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.078
local terms energy: -68.757704
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -149.882034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.882034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.882034 (E_RNA)
where:
Base-Base interactions energy: -86.580
where: short stacking energy: -36.943
Base-Backbone interact. energy: -0.114
local terms energy: -63.188026
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -10.532
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -119.714260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.714260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.714260 (E_RNA)
where:
Base-Base interactions energy: -55.619
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.017
local terms energy: -64.078212
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -146.308697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.308697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.308697 (E_RNA)
where:
Base-Base interactions energy: -101.547
where: short stacking energy: -48.210
Base-Backbone interact. energy: -0.258
local terms energy: -44.503749
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -4.337
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -98.102141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.102141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.102141 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -39.076
Base-Backbone interact. energy: -0.096
local terms energy: -56.926166
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -12.368
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -122.754288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.754288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.754288 (E_RNA)
where:
Base-Base interactions energy: -64.687
where: short stacking energy: -34.688
Base-Backbone interact. energy: -1.258
local terms energy: -56.809542
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -94.881048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.881048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.881048 (E_RNA)
where:
Base-Base interactions energy: -42.650
where: short stacking energy: -41.792
Base-Backbone interact. energy: -0.182
local terms energy: -52.049118
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -123.704908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.704908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.704908 (E_RNA)
where:
Base-Base interactions energy: -69.944
where: short stacking energy: -41.434
Base-Backbone interact. energy: 1.156
local terms energy: -54.917082
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.526643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.526643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.526643 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -30.731
Base-Backbone interact. energy: -0.399
local terms energy: -51.396432
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -159.710035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.710035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.710035 (E_RNA)
where:
Base-Base interactions energy: -96.349
where: short stacking energy: -47.285
Base-Backbone interact. energy: -0.376
local terms energy: -62.985506
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.081
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -181.673860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.673860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.673860 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -51.415
Base-Backbone interact. energy: -0.870
local terms energy: -60.581604
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -132.862095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.862095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.862095 (E_RNA)
where:
Base-Base interactions energy: -65.403
where: short stacking energy: -46.089
Base-Backbone interact. energy: -0.151
local terms energy: -67.308079
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -14.007
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -145.279960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.279960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.279960 (E_RNA)
where:
Base-Base interactions energy: -91.722
where: short stacking energy: -52.502
Base-Backbone interact. energy: 2.263
local terms energy: -55.820736
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -13.804
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -92.427811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.427811 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.484
local terms energy: -59.719799
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -10.869
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -115.585783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.585783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.585783 (E_RNA)
where:
Base-Base interactions energy: -53.331
where: short stacking energy: -37.776
Base-Backbone interact. energy: 0.345
local terms energy: -62.600146
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -96.906936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.906936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.906936 (E_RNA)
where:
Base-Base interactions energy: -53.733
where: short stacking energy: -33.278
Base-Backbone interact. energy: -0.189
local terms energy: -42.984635
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -8.152
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: 3.583
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: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -92.983292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983292 (E_RNA)
where:
Base-Base interactions energy: -52.156
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.020
local terms energy: -40.807839
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -0.569
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -85.981422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981422 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -27.063
Base-Backbone interact. energy: -0.363
local terms energy: -55.395705
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -2.684
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -85.506395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.506395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.506395 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -22.622
Base-Backbone interact. energy: 0.316
local terms energy: -52.513939
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -188.461918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.461918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.461918 (E_RNA)
where:
Base-Base interactions energy: -122.885
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.374
local terms energy: -65.202760
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -10.560
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -162.499850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.499850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.499850 (E_RNA)
where:
Base-Base interactions energy: -100.788
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.458
local terms energy: -61.254206
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -11.405
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: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -159.069707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.069707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.069707 (E_RNA)
where:
Base-Base interactions energy: -95.565
where: short stacking energy: -45.852
Base-Backbone interact. energy: 0.197
local terms energy: -63.700911
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -122.435776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.435776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.435776 (E_RNA)
where:
Base-Base interactions energy: -57.698
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.319
local terms energy: -64.418559
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.884
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: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -108.212028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.212028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.212028 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -43.550
Base-Backbone interact. energy: -0.098
local terms energy: -62.429499
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -96.074946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.074946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.074946 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -37.611
Base-Backbone interact. energy: 1.625
local terms energy: -55.221094
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -124.379646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.379646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.379646 (E_RNA)
where:
Base-Base interactions energy: -69.962
where: short stacking energy: -15.632
Base-Backbone interact. energy: 0.244
local terms energy: -54.661927
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -99.653007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.653007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.653007 (E_RNA)
where:
Base-Base interactions energy: -57.561
where: short stacking energy: -39.685
Base-Backbone interact. energy: 0.653
local terms energy: -42.744734
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -4.302
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -85.261729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.261729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.261729 (E_RNA)
where:
Base-Base interactions energy: -43.159
where: short stacking energy: -27.474
Base-Backbone interact. energy: 0.610
local terms energy: -42.712507
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -77.863298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863298 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -26.860
Base-Backbone interact. energy: 0.188
local terms energy: -51.191784
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -7.088
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: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -184.977956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.977956 (E_RNA)
where:
Base-Base interactions energy: -118.267
where: short stacking energy: -46.959
Base-Backbone interact. energy: -0.254
local terms energy: -66.457664
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.596
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: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -164.613119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.613119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.613119 (E_RNA)
where:
Base-Base interactions energy: -93.915
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.111
local terms energy: -70.587173
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -181.005593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.005593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.005593 (E_RNA)
where:
Base-Base interactions energy: -114.017
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.522
local terms energy: -66.466561
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.208
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: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -106.725802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.725802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.725802 (E_RNA)
where:
Base-Base interactions energy: -44.678
where: short stacking energy: -40.953
Base-Backbone interact. energy: 0.099
local terms energy: -62.146018
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -104.075919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.075919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.075919 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -33.729
Base-Backbone interact. energy: 0.257
local terms energy: -64.003485
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -148.066137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.066137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.066137 (E_RNA)
where:
Base-Base interactions energy: -87.525
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.607
local terms energy: -59.934931
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -89.328805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328805 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.099
local terms energy: -54.487607
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -95.244426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.244426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.244426 (E_RNA)
where:
Base-Base interactions energy: -49.049
where: short stacking energy: -38.767
Base-Backbone interact. energy: -0.111
local terms energy: -46.084529
where:
bonds (distance) C4'-P energy: -8.097
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.916573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.916573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.916573 (E_RNA)
where:
Base-Base interactions energy: -26.328
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.095
local terms energy: -55.493829
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -76.992416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992416 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.845
local terms energy: -45.837197
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -198.296628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296628 (E_RNA)
where:
Base-Base interactions energy: -130.158
where: short stacking energy: -38.066
Base-Backbone interact. energy: -1.330
local terms energy: -66.808783
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -172.452361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.452361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.452361 (E_RNA)
where:
Base-Base interactions energy: -98.149
where: short stacking energy: -71.150
Base-Backbone interact. energy: -0.002
local terms energy: -74.301934
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -183.414014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.414014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.414014 (E_RNA)
where:
Base-Base interactions energy: -112.691
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.837
local terms energy: -69.885425
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -113.808910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.808910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.808910 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.008
local terms energy: -67.797371
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -171.324698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.324698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.324698 (E_RNA)
where:
Base-Base interactions energy: -103.073
where: short stacking energy: -59.048
Base-Backbone interact. energy: -0.239
local terms energy: -68.013017
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -99.256516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256516 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -27.780
Base-Backbone interact. energy: -0.692
local terms energy: -53.858962
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -5.047
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: 2
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -94.958243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958243 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.742
local terms energy: -56.367524
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -6.388
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -84.561843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.561843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.561843 (E_RNA)
where:
Base-Base interactions energy: -33.594
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.030
local terms energy: -50.938342
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -80.752950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752950 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -27.766
Base-Backbone interact. energy: -0.514
local terms energy: -50.042496
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -0.657
tors. eta vs tors. theta energy: -2.815
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: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -79.808970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808970 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -23.076
Base-Backbone interact. energy: -0.307
local terms energy: -36.953728
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: 2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -201.306262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.306262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.306262 (E_RNA)
where:
Base-Base interactions energy: -140.850
where: short stacking energy: -45.379
Base-Backbone interact. energy: -2.369
local terms energy: -58.086709
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -9.635
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -189.298674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.298674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.298674 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -57.261
Base-Backbone interact. energy: -2.369
local terms energy: -69.881133
where:
bonds (distance) C4'-P energy: -7.832
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.468
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: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -174.313845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.313845 (E_RNA)
where:
Base-Base interactions energy: -96.482
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.044
local terms energy: -77.787995
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -23.199
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -179.622811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.622811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.622811 (E_RNA)
where:
Base-Base interactions energy: -110.601
where: short stacking energy: -55.441
Base-Backbone interact. energy: 1.277
local terms energy: -70.298334
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -115.430205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.430205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.430205 (E_RNA)
where:
Base-Base interactions energy: -44.856
where: short stacking energy: -44.856
Base-Backbone interact. energy: -0.110
local terms energy: -70.464265
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -101.142634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.142634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.142634 (E_RNA)
where:
Base-Base interactions energy: -40.542
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.228
local terms energy: -60.372753
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -90.424887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.424887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.424887 (E_RNA)
where:
Base-Base interactions energy: -34.165
where: short stacking energy: -34.365
Base-Backbone interact. energy: -0.065
local terms energy: -56.194510
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -6.488
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.393144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393144 (E_RNA)
where:
Base-Base interactions energy: -42.247
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.309
local terms energy: -42.837849
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -7.425
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.745101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745101 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -26.428
Base-Backbone interact. energy: -0.013
local terms energy: -56.483783
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -10.641
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -75.962357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.962357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.962357 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -12.381
Base-Backbone interact. energy: -0.988
local terms energy: -40.038868
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -210.166256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166256 (E_RNA)
where:
Base-Base interactions energy: -144.949
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.896
local terms energy: -64.320992
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -10.897
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: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -192.554524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.554524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.554524 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -56.401
Base-Backbone interact. energy: -1.822
local terms energy: -65.564638
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -15.505
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: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -172.544815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544815 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -50.023
Base-Backbone interact. energy: -0.054
local terms energy: -60.265286
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -157.169501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.169501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.169501 (E_RNA)
where:
Base-Base interactions energy: -91.821
where: short stacking energy: -60.449
Base-Backbone interact. energy: -1.511
local terms energy: -63.837307
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -108.741044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.741044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.741044 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -39.901
Base-Backbone interact. energy: -0.028
local terms energy: -68.625190
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -10.244
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: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -92.687962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.687962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.687962 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -40.473
Base-Backbone interact. energy: 1.308
local terms energy: -53.522548
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -85.916115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.916115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.916115 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.333
local terms energy: -55.071769
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -87.651002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651002 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.046
local terms energy: -48.707936
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -94.704096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.704096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.704096 (E_RNA)
where:
Base-Base interactions energy: -43.117
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.088
local terms energy: -51.499039
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -85.218161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.218161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.218161 (E_RNA)
where:
Base-Base interactions energy: -23.207
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.542
local terms energy: -61.469558
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -188.851662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851662 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.465
local terms energy: -63.228114
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.908
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: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -173.429311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.429311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429311 (E_RNA)
where:
Base-Base interactions energy: -104.567
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.359
local terms energy: -68.503548
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -214.061935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.061935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.061935 (E_RNA)
where:
Base-Base interactions energy: -136.961
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.044
local terms energy: -77.057648
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -150.901648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.901648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.901648 (E_RNA)
where:
Base-Base interactions energy: -94.064
where: short stacking energy: -45.794
Base-Backbone interact. energy: -0.049
local terms energy: -56.788780
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -99.029099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029099 (E_RNA)
where:
Base-Base interactions energy: -46.384
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.299
local terms energy: -52.346451
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -93.450346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450346 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.904
local terms energy: -50.098525
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -92.149897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.149897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.149897 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.092
local terms energy: -57.023810
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -81.022924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.022924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.022924 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.413
local terms energy: -38.724967
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -78.676699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.676699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.676699 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.901
local terms energy: -44.262248
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -112.452730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.452730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.452730 (E_RNA)
where:
Base-Base interactions energy: -62.558
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.141
local terms energy: -49.754091
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -160.164624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.164624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.164624 (E_RNA)
where:
Base-Base interactions energy: -88.644
where: short stacking energy: -56.487
Base-Backbone interact. energy: 0.238
local terms energy: -71.758265
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -183.329739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.329739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.329739 (E_RNA)
where:
Base-Base interactions energy: -121.846
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.925
local terms energy: -60.559144
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -8.661
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -213.537271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.537271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.537271 (E_RNA)
where:
Base-Base interactions energy: -137.585
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.594
local terms energy: -75.358075
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -14.095
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: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -158.944245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.944245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.944245 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -45.309
Base-Backbone interact. energy: -0.080
local terms energy: -62.756586
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -102.931162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.931162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.931162 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.111
local terms energy: -59.634495
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -96.419343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419343 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -37.402
Base-Backbone interact. energy: 0.382
local terms energy: -59.399164
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -84.002342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002342 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -21.856
Base-Backbone interact. energy: -0.142
local terms energy: -50.694923
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -95.306201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306201 (E_RNA)
where:
Base-Base interactions energy: -42.978
where: short stacking energy: -30.042
Base-Backbone interact. energy: -0.082
local terms energy: -52.246599
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.297
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: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -117.366765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.366765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.366765 (E_RNA)
where:
Base-Base interactions energy: -73.258
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.058
local terms energy: -44.049960
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -9.251
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -2.367
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -78.023915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.023915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.023915 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.055
local terms energy: -50.006393
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.567
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: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -188.738185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.738185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.738185 (E_RNA)
where:
Base-Base interactions energy: -123.905
where: short stacking energy: -59.646
Base-Backbone interact. energy: 0.117
local terms energy: -64.950081
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -220.509846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.509846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.509846 (E_RNA)
where:
Base-Base interactions energy: -137.907
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.297
local terms energy: -82.305990
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -199.207336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207336 (E_RNA)
where:
Base-Base interactions energy: -131.132
where: short stacking energy: -61.986
Base-Backbone interact. energy: 0.515
local terms energy: -68.590051
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -11.229
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: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -152.368835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.368835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.368835 (E_RNA)
where:
Base-Base interactions energy: -87.761
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.242
local terms energy: -64.364999
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -118.137641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.137641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.137641 (E_RNA)
where:
Base-Base interactions energy: -62.586
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.039
local terms energy: -55.512212
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -8.614
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: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -96.439122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439122 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.001
local terms energy: -55.332863
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -8.343
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: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -108.994852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.994852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.994852 (E_RNA)
where:
Base-Base interactions energy: -44.205
where: short stacking energy: -30.281
Base-Backbone interact. energy: -2.290
local terms energy: -62.499429
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -148.836172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.836172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.836172 (E_RNA)
where:
Base-Base interactions energy: -95.328
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.660
local terms energy: -52.847850
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.393417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.393417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.393417 (E_RNA)
where:
Base-Base interactions energy: -29.966
where: short stacking energy: -21.890
Base-Backbone interact. energy: -0.197
local terms energy: -51.230193
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.599907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.599907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.599907 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.091
local terms energy: -51.810321
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -215.534771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.534771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.534771 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.539
local terms energy: -75.979691
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -178.965460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.965460 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -53.123
Base-Backbone interact. energy: 1.980
local terms energy: -62.975408
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -200.883521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.883521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.883521 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.695
local terms energy: -70.045299
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -182.753148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.753148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753148 (E_RNA)
where:
Base-Base interactions energy: -110.228
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.094
local terms energy: -72.430945
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -98.978296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.978296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.978296 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.135
local terms energy: -59.207207
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -96.753439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753439 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.123
local terms energy: -56.781202
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -149.795502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.795502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.795502 (E_RNA)
where:
Base-Base interactions energy: -100.237
where: short stacking energy: -48.312
Base-Backbone interact. energy: -0.014
local terms energy: -49.544791
where:
bonds (distance) C4'-P energy: -3.090
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -8.669
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: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.655902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.655902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.655902 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.338
local terms energy: -49.026149
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -82.615694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.615694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.615694 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -30.015
Base-Backbone interact. energy: -1.137
local terms energy: -36.173728
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -71.699294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.699294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.699294 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.140
local terms energy: -44.989442
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -221.454244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454244 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.511
local terms energy: -78.116178
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -196.224913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.224913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.224913 (E_RNA)
where:
Base-Base interactions energy: -131.872
where: short stacking energy: -55.114
Base-Backbone interact. energy: 0.355
local terms energy: -64.708521
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -10.447
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: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -178.434293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.434293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.434293 (E_RNA)
where:
Base-Base interactions energy: -117.651
where: short stacking energy: -53.256
Base-Backbone interact. energy: 0.340
local terms energy: -61.123062
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -177.075045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.075045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.075045 (E_RNA)
where:
Base-Base interactions energy: -104.032
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.114
local terms energy: -72.928390
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -108.706653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.706653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.706653 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.792
local terms energy: -63.405521
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -6.370
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: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -162.796154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.796154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.796154 (E_RNA)
where:
Base-Base interactions energy: -98.064
where: short stacking energy: -43.397
Base-Backbone interact. energy: -0.093
local terms energy: -64.638881
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -102.852059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.852059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.852059 (E_RNA)
where:
Base-Base interactions energy: -43.325
where: short stacking energy: -40.851
Base-Backbone interact. energy: -0.109
local terms energy: -59.418376
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -98.058205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.058205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.058205 (E_RNA)
where:
Base-Base interactions energy: -42.586
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.286
local terms energy: -55.185775
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -85.945376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945376 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -20.781
Base-Backbone interact. energy: -0.689
local terms energy: -47.892185
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -76.521880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.521880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.521880 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -27.180
Base-Backbone interact. energy: 0.031
local terms energy: -49.372975
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -3.140
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -223.355016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355016 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.633
local terms energy: -78.701734
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -202.706897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.706897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706897 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.086
local terms energy: -61.368045
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -7.073
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: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -202.145223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.145223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.145223 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.056
local terms energy: -71.164005
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -16.937
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -144.944787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.944787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.944787 (E_RNA)
where:
Base-Base interactions energy: -75.677
where: short stacking energy: -45.204
Base-Backbone interact. energy: -1.192
local terms energy: -68.075787
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -184.577444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.577444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.577444 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.083
local terms energy: -70.811837
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -98.482070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.482070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.482070 (E_RNA)
where:
Base-Base interactions energy: -48.761
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.114
local terms energy: -49.606864
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -11.766
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: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -94.543791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.543791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.543791 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -36.103
Base-Backbone interact. energy: 0.025
local terms energy: -58.465569
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -9.066
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: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -83.382762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382762 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -29.993
Base-Backbone interact. energy: 0.810
local terms energy: -54.199053
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -91.018400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.018400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.018400 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.038
local terms energy: -56.058422
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.573617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573617 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.318
local terms energy: -45.747818
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -215.917938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.917938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.917938 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -76.949
Base-Backbone interact. energy: 0.919
local terms energy: -71.884651
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -18.537
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: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -189.591000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.591000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.591000 (E_RNA)
where:
Base-Base interactions energy: -119.404
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.696
local terms energy: -69.491404
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -8.746
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -186.467533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.467533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.467533 (E_RNA)
where:
Base-Base interactions energy: -123.201
where: short stacking energy: -54.630
Base-Backbone interact. energy: -0.025
local terms energy: -63.241448
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -16.991
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: 17
Temperature: 1.050000
Total energy: -146.771218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.771218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.771218 (E_RNA)
where:
Base-Base interactions energy: -85.583
where: short stacking energy: -51.245
Base-Backbone interact. energy: -0.255
local terms energy: -60.932832
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -7.237
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: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -154.337224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.337224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.337224 (E_RNA)
where:
Base-Base interactions energy: -93.596
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.092
local terms energy: -60.649198
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -11.146
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: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -92.695355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.695355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.695355 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.290
local terms energy: -55.846740
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -7.312
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -97.819189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.819189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.819189 (E_RNA)
where:
Base-Base interactions energy: -45.735
where: short stacking energy: -27.033
Base-Backbone interact. energy: -0.497
local terms energy: -51.587586
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.938
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: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -101.433635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.433635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.433635 (E_RNA)
where:
Base-Base interactions energy: -43.587
where: short stacking energy: -37.053
Base-Backbone interact. energy: -0.001
local terms energy: -57.845425
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.965
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: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -82.586851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586851 (E_RNA)
where:
Base-Base interactions energy: -32.919
where: short stacking energy: -23.081
Base-Backbone interact. energy: 0.934
local terms energy: -50.601725
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -80.687266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.687266 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.128
local terms energy: -48.842509
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -208.834001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.834001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.834001 (E_RNA)
where:
Base-Base interactions energy: -142.739
where: short stacking energy: -64.995
Base-Backbone interact. energy: 0.331
local terms energy: -66.426259
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -220.591453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.591453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.591453 (E_RNA)
where:
Base-Base interactions energy: -135.614
where: short stacking energy: -65.963
Base-Backbone interact. energy: -0.110
local terms energy: -84.867274
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -21.363
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: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -155.546895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.546895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.546895 (E_RNA)
where:
Base-Base interactions energy: -86.174
where: short stacking energy: -41.393
Base-Backbone interact. energy: -1.092
local terms energy: -68.280449
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -184.560001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.560001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.560001 (E_RNA)
where:
Base-Base interactions energy: -115.464
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.057
local terms energy: -69.039500
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -168.217158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.217158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.217158 (E_RNA)
where:
Base-Base interactions energy: -105.289
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.011
local terms energy: -62.916722
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -100.271730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.271730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.271730 (E_RNA)
where:
Base-Base interactions energy: -41.866
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.012
local terms energy: -58.393755
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -92.687603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.687603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.687603 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.025
local terms energy: -57.361570
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -86.208999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.208999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.208999 (E_RNA)
where:
Base-Base interactions energy: -35.104
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.058
local terms energy: -51.047522
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -99.202549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.202549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.202549 (E_RNA)
where:
Base-Base interactions energy: -49.332
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.041
local terms energy: -49.829064
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.253747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.253747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.253747 (E_RNA)
where:
Base-Base interactions energy: -27.520
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.022
local terms energy: -48.712352
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -207.892470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.892470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.892470 (E_RNA)
where:
Base-Base interactions energy: -140.405
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.135
local terms energy: -67.352466
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -0.848
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -219.849511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.849511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.849511 (E_RNA)
where:
Base-Base interactions energy: -139.254
where: short stacking energy: -80.812
Base-Backbone interact. energy: -0.200
local terms energy: -80.395287
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -24.904
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: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -177.307760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.307760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.307760 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.187
local terms energy: -66.208788
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -186.455802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455802 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -65.781
Base-Backbone interact. energy: 0.184
local terms energy: -70.591717
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -176.830997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.830997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.830997 (E_RNA)
where:
Base-Base interactions energy: -112.078
where: short stacking energy: -55.619
Base-Backbone interact. energy: -0.099
local terms energy: -64.654202
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -5.778
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: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -103.765655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.765655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.765655 (E_RNA)
where:
Base-Base interactions energy: -39.375
where: short stacking energy: -39.375
Base-Backbone interact. energy: -0.061
local terms energy: -64.329706
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.008
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -97.618917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.618917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.618917 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -33.312
Base-Backbone interact. energy: 0.281
local terms energy: -57.809420
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -2.937
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -92.390937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.390937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.390937 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.064
local terms energy: -56.156387
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -83.360620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360620 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -19.734
Base-Backbone interact. energy: -0.217
local terms energy: -49.444189
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -0.945
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: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -84.799203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799203 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -37.593
Base-Backbone interact. energy: 0.174
local terms energy: -45.779980
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -218.281574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281574 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.007
local terms energy: -81.200958
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.095
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -198.924062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.924062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.924062 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.437
local terms energy: -72.384193
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -6.477
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: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -193.608467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.608467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608467 (E_RNA)
where:
Base-Base interactions energy: -118.216
where: short stacking energy: -70.361
Base-Backbone interact. energy: 1.719
local terms energy: -77.111318
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -179.263810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.263810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.263810 (E_RNA)
where:
Base-Base interactions energy: -102.870
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.003
local terms energy: -76.391292
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -20.057
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: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -187.272338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.272338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.272338 (E_RNA)
where:
Base-Base interactions energy: -112.082
where: short stacking energy: -53.099
Base-Backbone interact. energy: -0.029
local terms energy: -75.161274
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -15.291
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -109.320648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.320648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.320648 (E_RNA)
where:
Base-Base interactions energy: -49.695
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.064
local terms energy: -59.561488
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -4.283
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -130.490754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.490754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.490754 (E_RNA)
where:
Base-Base interactions energy: -77.656
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.002
local terms energy: -52.832904
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -72.065602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.065602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.065602 (E_RNA)
where:
Base-Base interactions energy: -20.664
where: short stacking energy: -20.664
Base-Backbone interact. energy: -0.164
local terms energy: -51.237696
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -105.263772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.263772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.263772 (E_RNA)
where:
Base-Base interactions energy: -55.945
where: short stacking energy: -29.846
Base-Backbone interact. energy: 0.070
local terms energy: -49.388789
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -83.538702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.538702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.538702 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.094
local terms energy: -51.791506
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -228.625522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.625522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.625522 (E_RNA)
where:
Base-Base interactions energy: -147.465
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.178
local terms energy: -80.982914
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -198.004332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.004332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.004332 (E_RNA)
where:
Base-Base interactions energy: -122.637
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.575
local terms energy: -74.791807
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -194.733308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733308 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.483
local terms energy: -64.029929
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -9.476
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: 21
Temperature: 1.050000
Total energy: -173.606687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.606687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.606687 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.283
local terms energy: -58.903448
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -13.146
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: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -154.817562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.817562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.817562 (E_RNA)
where:
Base-Base interactions energy: -94.048
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.082
local terms energy: -60.688362
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -159.493366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.493366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.493366 (E_RNA)
where:
Base-Base interactions energy: -95.339
where: short stacking energy: -58.522
Base-Backbone interact. energy: 0.265
local terms energy: -64.420191
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -9.458
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: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -91.401916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.401916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.401916 (E_RNA)
where:
Base-Base interactions energy: -36.157
where: short stacking energy: -31.343
Base-Backbone interact. energy: -0.371
local terms energy: -54.873916
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.524
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: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -89.037396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.037396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.037396 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -36.695
Base-Backbone interact. energy: 0.137
local terms energy: -52.480163
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -83.791488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791488 (E_RNA)
where:
Base-Base interactions energy: -29.795
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.234
local terms energy: -53.762553
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -79.974122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.974122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.974122 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -34.845
Base-Backbone interact. energy: 0.085
local terms energy: -41.567325
where:
bonds (distance) C4'-P energy: -3.687
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -204.018405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.018405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.018405 (E_RNA)
where:
Base-Base interactions energy: -125.210
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.001
local terms energy: -78.806971
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -202.707462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707462 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -57.268
Base-Backbone interact. energy: -0.030
local terms energy: -77.684776
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -188.801487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.801487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.801487 (E_RNA)
where:
Base-Base interactions energy: -120.403
where: short stacking energy: -48.086
Base-Backbone interact. energy: -0.390
local terms energy: -68.007950
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -178.319790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.319790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.319790 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -59.192
Base-Backbone interact. energy: -0.182
local terms energy: -56.289280
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -171.680121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.680121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.680121 (E_RNA)
where:
Base-Base interactions energy: -103.924
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.058
local terms energy: -67.698675
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.623
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: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -155.224819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.224819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.224819 (E_RNA)
where:
Base-Base interactions energy: -91.813
where: short stacking energy: -42.842
Base-Backbone interact. energy: -0.127
local terms energy: -63.284594
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -108.349360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.349360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.349360 (E_RNA)
where:
Base-Base interactions energy: -53.129
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.060
local terms energy: -55.160566
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -85.468623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.468623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.468623 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.029
local terms energy: -49.573198
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -76.951021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.951021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.951021 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -34.038
Base-Backbone interact. energy: 0.196
local terms energy: -43.109362
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -86.565624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.565624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.565624 (E_RNA)
where:
Base-Base interactions energy: -28.861
where: short stacking energy: -25.330
Base-Backbone interact. energy: -0.106
local terms energy: -57.597903
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -187.032184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032184 (E_RNA)
where:
Base-Base interactions energy: -114.177
where: short stacking energy: -62.014
Base-Backbone interact. energy: -0.021
local terms energy: -72.834727
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -195.439065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.439065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439065 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.182
local terms energy: -68.134413
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -200.768817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.768817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768817 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.645
local terms energy: -70.388683
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.991
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: 23
Temperature: 1.050000
Total energy: -150.970890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.970890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.970890 (E_RNA)
where:
Base-Base interactions energy: -89.307
where: short stacking energy: -45.473
Base-Backbone interact. energy: -0.532
local terms energy: -61.131220
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -179.593220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.593220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.593220 (E_RNA)
where:
Base-Base interactions energy: -112.311
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.018
local terms energy: -67.264183
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -9.628
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: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -92.236813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236813 (E_RNA)
where:
Base-Base interactions energy: -41.226
where: short stacking energy: -40.775
Base-Backbone interact. energy: -0.558
local terms energy: -50.453642
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -150.138938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.138938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.138938 (E_RNA)
where:
Base-Base interactions energy: -89.687
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.086
local terms energy: -60.366465
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -84.265012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265012 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -22.016
Base-Backbone interact. energy: 0.522
local terms energy: -53.650460
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -82.994785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.994785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.994785 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -30.276
Base-Backbone interact. energy: 0.039
local terms energy: -51.419905
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -92.284471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.284471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.284471 (E_RNA)
where:
Base-Base interactions energy: -40.529
where: short stacking energy: -27.182
Base-Backbone interact. energy: -0.203
local terms energy: -51.552284
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -211.868079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868079 (E_RNA)
where:
Base-Base interactions energy: -139.810
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.381
local terms energy: -71.677065
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -181.510981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.510981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.510981 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.023
local terms energy: -68.171651
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -17.314
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -208.044250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.044250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.044250 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.899
local terms energy: -69.874615
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -20.071
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: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -165.760648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.760648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.760648 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.109
local terms energy: -62.619701
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -183.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.730731 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -57.727
Base-Backbone interact. energy: -0.215
local terms energy: -68.045282
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -95.939331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.939331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.939331 (E_RNA)
where:
Base-Base interactions energy: -36.375
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.099
local terms energy: -59.465667
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -153.735757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.735757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.735757 (E_RNA)
where:
Base-Base interactions energy: -95.014
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.135
local terms energy: -58.586435
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -103.630013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.630013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.630013 (E_RNA)
where:
Base-Base interactions energy: -55.126
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.125
local terms energy: -48.378436
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -88.312169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.312169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.312169 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -24.442
Base-Backbone interact. energy: -0.040
local terms energy: -53.681124
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -85.492252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.492252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.492252 (E_RNA)
where:
Base-Base interactions energy: -31.463
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.133
local terms energy: -53.895991
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -212.178836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.178836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.178836 (E_RNA)
where:
Base-Base interactions energy: -138.015
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.394
local terms energy: -73.769962
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -215.527961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.527961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.527961 (E_RNA)
where:
Base-Base interactions energy: -142.079
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.065
local terms energy: -73.383057
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -182.497016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.497016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.497016 (E_RNA)
where:
Base-Base interactions energy: -110.413
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.001
local terms energy: -72.083062
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -199.949713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.949713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.949713 (E_RNA)
where:
Base-Base interactions energy: -129.598
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.042
local terms energy: -70.309923
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -16.229
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: 25
Temperature: 1.100000
Total energy: -132.079084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079084 (E_RNA)
where:
Base-Base interactions energy: -67.632
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.093
local terms energy: -64.353653
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.681
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: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -155.460718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.460718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.460718 (E_RNA)
where:
Base-Base interactions energy: -94.441
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.651
local terms energy: -60.368247
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.237
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: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -83.634309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.634309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.634309 (E_RNA)
where:
Base-Base interactions energy: -33.376
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.129
local terms energy: -50.129476
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -71.566478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.566478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.566478 (E_RNA)
where:
Base-Base interactions energy: -23.511
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.302
local terms energy: -47.754018
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -83.766583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.766583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.766583 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -21.304
Base-Backbone interact. energy: 0.917
local terms energy: -48.669795
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -76.609687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.609687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.609687 (E_RNA)
where:
Base-Base interactions energy: -30.450
where: short stacking energy: -24.312
Base-Backbone interact. energy: 1.863
local terms energy: -48.022531
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -212.836391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.836391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.836391 (E_RNA)
where:
Base-Base interactions energy: -135.419
where: short stacking energy: -69.480
Base-Backbone interact. energy: -0.410
local terms energy: -77.006804
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -203.623534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.623534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.623534 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.443
local terms energy: -72.370854
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -199.981963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981963 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.003
local terms energy: -73.744855
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -184.920828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.920828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.920828 (E_RNA)
where:
Base-Base interactions energy: -120.162
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.169
local terms energy: -64.589772
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -155.099740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.099740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.099740 (E_RNA)
where:
Base-Base interactions energy: -89.595
where: short stacking energy: -44.914
Base-Backbone interact. energy: -0.092
local terms energy: -65.412747
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -154.803886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.803886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.803886 (E_RNA)
where:
Base-Base interactions energy: -97.799
where: short stacking energy: -42.756
Base-Backbone interact. energy: -1.532
local terms energy: -55.472629
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -97.968502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.968502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.968502 (E_RNA)
where:
Base-Base interactions energy: -45.067
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.675
local terms energy: -52.226523
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -90.430212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430212 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.082
local terms energy: -60.123474
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -5.231
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: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -74.121767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.121767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.121767 (E_RNA)
where:
Base-Base interactions energy: -22.772
where: short stacking energy: -19.503
Base-Backbone interact. energy: -0.058
local terms energy: -51.292174
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -11.200
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -79.915989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.915989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.915989 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -30.543
Base-Backbone interact. energy: -0.353
local terms energy: -49.019777
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.875
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: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -222.325432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.325432 (E_RNA)
where:
Base-Base interactions energy: -140.307
where: short stacking energy: -78.327
Base-Backbone interact. energy: -0.931
local terms energy: -81.086946
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -205.389950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.389950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.389950 (E_RNA)
where:
Base-Base interactions energy: -137.336
where: short stacking energy: -71.315
Base-Backbone interact. energy: 0.038
local terms energy: -68.091465
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -192.331046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.331046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.331046 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -47.527
Base-Backbone interact. energy: -0.225
local terms energy: -66.010016
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -189.423220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.423220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.423220 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.000
local terms energy: -69.351314
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -150.528425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.528425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.528425 (E_RNA)
where:
Base-Base interactions energy: -94.094
where: short stacking energy: -44.855
Base-Backbone interact. energy: -0.227
local terms energy: -56.207407
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.209
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: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -150.513731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.513731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.513731 (E_RNA)
where:
Base-Base interactions energy: -85.562
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.017
local terms energy: -64.934423
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -11.783
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: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -95.453666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.453666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.453666 (E_RNA)
where:
Base-Base interactions energy: -39.187
where: short stacking energy: -35.295
Base-Backbone interact. energy: -0.302
local terms energy: -55.965098
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -97.072494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072494 (E_RNA)
where:
Base-Base interactions energy: -43.450
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.091
local terms energy: -53.531902
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -7.768
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: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -83.127591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.127591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.127591 (E_RNA)
where:
Base-Base interactions energy: -30.580
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.055
local terms energy: -52.491878
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -73.450813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.450813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.450813 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -26.033
Base-Backbone interact. energy: 4.237
local terms energy: -40.698657
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -1.930
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -224.231509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.231509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.231509 (E_RNA)
where:
Base-Base interactions energy: -142.876
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.000
local terms energy: -81.355653
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -190.709545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.709545 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.038
local terms energy: -68.343271
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -191.557503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.557503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.557503 (E_RNA)
where:
Base-Base interactions energy: -124.486
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.157
local terms energy: -66.914344
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -180.484033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.484033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.484033 (E_RNA)
where:
Base-Base interactions energy: -106.649
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.054
local terms energy: -73.781241
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -151.300586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.300586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.300586 (E_RNA)
where:
Base-Base interactions energy: -107.653
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.108
local terms energy: -43.539221
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -4.542
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: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -165.045678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.045678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.045678 (E_RNA)
where:
Base-Base interactions energy: -106.570
where: short stacking energy: -45.885
Base-Backbone interact. energy: -0.090
local terms energy: -58.385553
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -92.738570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.738570 (E_RNA)
where:
Base-Base interactions energy: -42.362
where: short stacking energy: -29.763
Base-Backbone interact. energy: -0.142
local terms energy: -50.234534
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -101.529030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.529030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.529030 (E_RNA)
where:
Base-Base interactions energy: -49.094
where: short stacking energy: -40.235
Base-Backbone interact. energy: -0.055
local terms energy: -52.379690
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -84.764992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764992 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.038
local terms energy: -58.587289
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -85.054451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.054451 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -21.787
Base-Backbone interact. energy: -0.863
local terms energy: -47.698950
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -218.699589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.699589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.699589 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.150
local terms energy: -79.715675
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -200.806239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.806239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806239 (E_RNA)
where:
Base-Base interactions energy: -127.596
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.009
local terms energy: -73.200772
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -187.945491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945491 (E_RNA)
where:
Base-Base interactions energy: -117.920
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.104
local terms energy: -69.921493
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -16.022
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: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -170.818468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.818468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.818468 (E_RNA)
where:
Base-Base interactions energy: -106.279
where: short stacking energy: -57.649
Base-Backbone interact. energy: 0.291
local terms energy: -64.830036
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -16.499
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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -152.882974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.882974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.882974 (E_RNA)
where:
Base-Base interactions energy: -96.150
where: short stacking energy: -50.654
Base-Backbone interact. energy: 0.161
local terms energy: -56.893359
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -172.572041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.572041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.572041 (E_RNA)
where:
Base-Base interactions energy: -113.679
where: short stacking energy: -54.446
Base-Backbone interact. energy: 0.493
local terms energy: -59.385923
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -89.975456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.975456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.975456 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.208
local terms energy: -53.049947
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -2.305
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: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -84.685857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.685857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.685857 (E_RNA)
where:
Base-Base interactions energy: -28.451
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.231
local terms energy: -56.004170
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -6.569
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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -87.127154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.127154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.127154 (E_RNA)
where:
Base-Base interactions energy: -35.622
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.105
local terms energy: -51.400682
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -10.347
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: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -74.845692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.845692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.845692 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -24.226
Base-Backbone interact. energy: -0.073
local terms energy: -47.276792
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -7.490
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: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -199.483980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.483980 (E_RNA)
where:
Base-Base interactions energy: -124.298
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.006
local terms energy: -75.180102
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -217.901809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.901809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.901809 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.280
local terms energy: -76.744678
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -182.150564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.150564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.150564 (E_RNA)
where:
Base-Base interactions energy: -111.885
where: short stacking energy: -69.722
Base-Backbone interact. energy: 0.420
local terms energy: -70.685264
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -194.404091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.404091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.404091 (E_RNA)
where:
Base-Base interactions energy: -127.288
where: short stacking energy: -51.049
Base-Backbone interact. energy: 0.094
local terms energy: -67.209855
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -174.195878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.195878 (E_RNA)
where:
Base-Base interactions energy: -106.675
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.336
local terms energy: -67.185124
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -169.772919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.772919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.772919 (E_RNA)
where:
Base-Base interactions energy: -106.667
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.764
local terms energy: -62.341828
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -92.656223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656223 (E_RNA)
where:
Base-Base interactions energy: -45.212
where: short stacking energy: -38.296
Base-Backbone interact. energy: 0.872
local terms energy: -48.316416
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -109.876913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.876913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.876913 (E_RNA)
where:
Base-Base interactions energy: -61.324
where: short stacking energy: -36.506
Base-Backbone interact. energy: 0.865
local terms energy: -49.418098
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -9.201
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: 30
Temperature: 1.300000
Total energy: -109.906029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.906029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.906029 (E_RNA)
where:
Base-Base interactions energy: -72.674
where: short stacking energy: -20.806
Base-Backbone interact. energy: -1.803
local terms energy: -35.429368
where:
bonds (distance) C4'-P energy: -6.596
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -1.027
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -74.460868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.460868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.460868 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -23.759
Base-Backbone interact. energy: -0.039
local terms energy: -45.017912
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: 1.069
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: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -194.535074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.535074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.535074 (E_RNA)
where:
Base-Base interactions energy: -116.820
where: short stacking energy: -64.833
Base-Backbone interact. energy: 1.183
local terms energy: -78.898858
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -209.374936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.374936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.374936 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.610
local terms energy: -78.360243
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -195.781958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781958 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -51.481
Base-Backbone interact. energy: 0.048
local terms energy: -69.084029
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -193.104201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.104201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.104201 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.440
local terms energy: -54.870055
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -169.320883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.320883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.320883 (E_RNA)
where:
Base-Base interactions energy: -113.921
where: short stacking energy: -46.194
Base-Backbone interact. energy: -1.144
local terms energy: -54.256145
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -163.033471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.033471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.033471 (E_RNA)
where:
Base-Base interactions energy: -108.823
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.401
local terms energy: -53.809229
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -5.224
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -93.689200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.689200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.689200 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -38.307
Base-Backbone interact. energy: 0.147
local terms energy: -53.451252
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -93.561698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.561698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.561698 (E_RNA)
where:
Base-Base interactions energy: -39.817
where: short stacking energy: -34.132
Base-Backbone interact. energy: 0.191
local terms energy: -53.935172
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -80.605014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.605014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.605014 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.144
local terms energy: -47.470793
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -0.411
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: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -81.554011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554011 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -26.238
Base-Backbone interact. energy: -1.497
local terms energy: -46.995341
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -219.396997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.396997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.396997 (E_RNA)
where:
Base-Base interactions energy: -138.304
where: short stacking energy: -66.709
Base-Backbone interact. energy: -0.489
local terms energy: -80.604359
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -18.458
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -189.033315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.033315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.033315 (E_RNA)
where:
Base-Base interactions energy: -113.868
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.002
local terms energy: -75.162797
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -191.064437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.064437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.064437 (E_RNA)
where:
Base-Base interactions energy: -124.341
where: short stacking energy: -64.694
Base-Backbone interact. energy: 0.946
local terms energy: -67.669649
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -173.425701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.425701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.425701 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -46.512
Base-Backbone interact. energy: 0.741
local terms energy: -58.821252
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -170.307106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.307106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.307106 (E_RNA)
where:
Base-Base interactions energy: -116.327
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.125
local terms energy: -53.855271
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -126.572534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.572534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.572534 (E_RNA)
where:
Base-Base interactions energy: -73.062
where: short stacking energy: -47.309
Base-Backbone interact. energy: 0.409
local terms energy: -53.919275
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -10.776
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: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -93.284720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.284720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.284720 (E_RNA)
where:
Base-Base interactions energy: -35.627
where: short stacking energy: -35.627
Base-Backbone interact. energy: -0.055
local terms energy: -57.602669
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -14.158
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: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -73.846220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.846220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.846220 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -28.176
Base-Backbone interact. energy: 2.761
local terms energy: -45.031134
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -11.483
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: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -80.116683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.116683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.116683 (E_RNA)
where:
Base-Base interactions energy: -32.410
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.145
local terms energy: -47.561058
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -78.854910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.854910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.854910 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -17.421
Base-Backbone interact. energy: -0.865
local terms energy: -56.384295
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -3.150
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: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -219.313330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.313330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.313330 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.193
local terms energy: -76.725304
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -211.915051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.915051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.915051 (E_RNA)
where:
Base-Base interactions energy: -138.024
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.726
local terms energy: -73.164704
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -200.683622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.683622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.683622 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.162
local terms energy: -67.966591
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -182.471776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.471776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471776 (E_RNA)
where:
Base-Base interactions energy: -112.391
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.883
local terms energy: -69.197542
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -166.470898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.470898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.470898 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -58.696
Base-Backbone interact. energy: 0.246
local terms energy: -69.191243
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -102.427512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.427512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.427512 (E_RNA)
where:
Base-Base interactions energy: -51.435
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.280
local terms energy: -50.712665
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -130.649172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.649172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.649172 (E_RNA)
where:
Base-Base interactions energy: -83.311
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.141
local terms energy: -47.197152
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -94.482661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.482661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.482661 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.125
local terms energy: -55.882125
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -86.139463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139463 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.048
local terms energy: -55.086552
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -86.440705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440705 (E_RNA)
where:
Base-Base interactions energy: -43.371
where: short stacking energy: -29.400
Base-Backbone interact. energy: -0.178
local terms energy: -42.892190
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: 0.828
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: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -221.001589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.001589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.001589 (E_RNA)
where:
Base-Base interactions energy: -143.099
where: short stacking energy: -76.132
Base-Backbone interact. energy: -1.109
local terms energy: -76.793172
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -210.617311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.617311 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.001
local terms energy: -81.512814
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -188.668396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.668396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.668396 (E_RNA)
where:
Base-Base interactions energy: -121.505
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.009
local terms energy: -67.153902
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -6.381
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -184.735352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.735352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.735352 (E_RNA)
where:
Base-Base interactions energy: -111.520
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.003
local terms energy: -73.212472
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -179.125721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.125721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.125721 (E_RNA)
where:
Base-Base interactions energy: -120.514
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.387
local terms energy: -58.224734
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -126.552327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.552327 (E_RNA)
where:
Base-Base interactions energy: -70.534
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.103
local terms energy: -55.915983
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -89.730157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730157 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.084
local terms energy: -57.474885
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.630
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -131.524094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.524094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.524094 (E_RNA)
where:
Base-Base interactions energy: -75.479
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.368
local terms energy: -55.677497
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -8.779
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -92.012271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.012271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.012271 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.025
local terms energy: -58.320103
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -74.906263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.906263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.906263 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -17.627
Base-Backbone interact. energy: 0.327
local terms energy: -42.536317
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: 4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -220.603781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.603781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603781 (E_RNA)
where:
Base-Base interactions energy: -139.799
where: short stacking energy: -74.944
Base-Backbone interact. energy: -1.131
local terms energy: -79.673652
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -22.975
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -185.516998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.516998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.516998 (E_RNA)
where:
Base-Base interactions energy: -109.907
where: short stacking energy: -65.592
Base-Backbone interact. energy: -0.001
local terms energy: -75.609094
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.808
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: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -200.634272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.634272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.634272 (E_RNA)
where:
Base-Base interactions energy: -125.304
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.002
local terms energy: -75.328682
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -194.401743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.401743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.401743 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.280
local terms energy: -63.338961
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -185.740454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.740454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.740454 (E_RNA)
where:
Base-Base interactions energy: -118.127
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.017
local terms energy: -67.595611
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -150.614768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.614768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.614768 (E_RNA)
where:
Base-Base interactions energy: -87.097
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.093
local terms energy: -63.425443
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -12.484
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -94.010314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.010314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.010314 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -30.225
Base-Backbone interact. energy: -0.308
local terms energy: -56.528223
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -161.716148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.716148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.716148 (E_RNA)
where:
Base-Base interactions energy: -98.815
where: short stacking energy: -50.426
Base-Backbone interact. energy: -0.657
local terms energy: -62.243712
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -78.807057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.807057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.807057 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -30.022
Base-Backbone interact. energy: 0.332
local terms energy: -47.696860
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -75.642755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.642755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.642755 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.192
local terms energy: -39.283994
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -216.171141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.171141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.171141 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -66.930
Base-Backbone interact. energy: -0.279
local terms energy: -75.607188
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -194.160721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160721 (E_RNA)
where:
Base-Base interactions energy: -118.416
where: short stacking energy: -64.458
Base-Backbone interact. energy: -0.003
local terms energy: -75.741175
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -169.240146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.240146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.240146 (E_RNA)
where:
Base-Base interactions energy: -100.655
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.917
local terms energy: -67.667745
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.565
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: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -197.674492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.674492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.674492 (E_RNA)
where:
Base-Base interactions energy: -125.964
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.002
local terms energy: -71.708470
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -176.976118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.976118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976118 (E_RNA)
where:
Base-Base interactions energy: -107.738
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.031
local terms energy: -69.207934
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -167.784220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.784220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.784220 (E_RNA)
where:
Base-Base interactions energy: -110.213
where: short stacking energy: -45.806
Base-Backbone interact. energy: 0.742
local terms energy: -58.313235
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -155.238667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.238667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.238667 (E_RNA)
where:
Base-Base interactions energy: -99.323
where: short stacking energy: -48.420
Base-Backbone interact. energy: 1.683
local terms energy: -57.598934
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -108.182458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.182458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.182458 (E_RNA)
where:
Base-Base interactions energy: -53.365
where: short stacking energy: -26.359
Base-Backbone interact. energy: -0.093
local terms energy: -54.725088
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -98.821159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821159 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -27.934
Base-Backbone interact. energy: -1.459
local terms energy: -57.734151
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -5.398
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: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -72.497062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.497062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.497062 (E_RNA)
where:
Base-Base interactions energy: -23.688
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.224
local terms energy: -48.584895
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -222.114167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.114167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.114167 (E_RNA)
where:
Base-Base interactions energy: -142.622
where: short stacking energy: -66.023
Base-Backbone interact. energy: -0.006
local terms energy: -79.486283
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -9.653
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: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -198.848683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.848683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848683 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.032
local terms energy: -77.201108
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -165.336730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.336730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.336730 (E_RNA)
where:
Base-Base interactions energy: -113.908
where: short stacking energy: -48.386
Base-Backbone interact. energy: -0.197
local terms energy: -51.231761
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -170.408705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.408705 (E_RNA)
where:
Base-Base interactions energy: -113.510
where: short stacking energy: -48.823
Base-Backbone interact. energy: -0.085
local terms energy: -56.813386
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -5.686
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: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -200.202597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202597 (E_RNA)
where:
Base-Base interactions energy: -123.808
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.042
local terms energy: -76.352472
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -169.709663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.709663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.709663 (E_RNA)
where:
Base-Base interactions energy: -115.229
where: short stacking energy: -48.333
Base-Backbone interact. energy: -0.389
local terms energy: -54.091284
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -6.181
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: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -149.671854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.671854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.671854 (E_RNA)
where:
Base-Base interactions energy: -90.242
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.002
local terms energy: -59.428549
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -12.081
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: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -138.077053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.077053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.077053 (E_RNA)
where:
Base-Base interactions energy: -75.298
where: short stacking energy: -39.487
Base-Backbone interact. energy: 0.395
local terms energy: -63.173738
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.546
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: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -80.451273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.451273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.451273 (E_RNA)
where:
Base-Base interactions energy: -31.168
where: short stacking energy: -19.789
Base-Backbone interact. energy: -0.084
local terms energy: -49.199682
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -73.047213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.047213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.047213 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -24.481
Base-Backbone interact. energy: 0.235
local terms energy: -45.521571
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -220.108247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.108247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.108247 (E_RNA)
where:
Base-Base interactions energy: -140.365
where: short stacking energy: -72.370
Base-Backbone interact. energy: -0.072
local terms energy: -79.671172
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -21.462
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -195.886037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.886037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.886037 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.947
local terms energy: -68.904555
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -183.756229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.756229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.756229 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -40.561
Base-Backbone interact. energy: -0.232
local terms energy: -68.869977
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.998
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: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -161.699695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.699695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.699695 (E_RNA)
where:
Base-Base interactions energy: -98.513
where: short stacking energy: -52.776
Base-Backbone interact. energy: 1.182
local terms energy: -64.368797
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -186.069755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.069755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.069755 (E_RNA)
where:
Base-Base interactions energy: -119.422
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.029
local terms energy: -66.618636
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -159.897919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.897919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.897919 (E_RNA)
where:
Base-Base interactions energy: -89.690
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.468
local terms energy: -69.739903
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -137.694364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.694364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.694364 (E_RNA)
where:
Base-Base interactions energy: -74.506
where: short stacking energy: -43.200
Base-Backbone interact. energy: -1.221
local terms energy: -61.967660
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -149.395442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.395442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.395442 (E_RNA)
where:
Base-Base interactions energy: -88.986
where: short stacking energy: -44.991
Base-Backbone interact. energy: -0.024
local terms energy: -60.385542
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -10.010
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -87.044834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.044834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.044834 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -28.070
Base-Backbone interact. energy: -0.069
local terms energy: -54.010578
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -74.693428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.693428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.693428 (E_RNA)
where:
Base-Base interactions energy: -23.143
where: short stacking energy: -22.952
Base-Backbone interact. energy: -0.364
local terms energy: -51.185793
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -4.236
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: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -220.372802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.372802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.372802 (E_RNA)
where:
Base-Base interactions energy: -151.383
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.147
local terms energy: -68.842946
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -191.606546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.606546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.606546 (E_RNA)
where:
Base-Base interactions energy: -118.334
where: short stacking energy: -50.044
Base-Backbone interact. energy: -0.356
local terms energy: -72.916717
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -184.541928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.541928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.541928 (E_RNA)
where:
Base-Base interactions energy: -120.501
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.064
local terms energy: -63.976344
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -198.266363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.266363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.266363 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.448
local terms energy: -77.369015
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -169.437872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.437872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.437872 (E_RNA)
where:
Base-Base interactions energy: -99.394
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.145
local terms energy: -69.899432
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -156.055477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.055477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.055477 (E_RNA)
where:
Base-Base interactions energy: -91.687
where: short stacking energy: -47.869
Base-Backbone interact. energy: -0.414
local terms energy: -63.954916
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -156.202069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.202069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.202069 (E_RNA)
where:
Base-Base interactions energy: -88.610
where: short stacking energy: -52.411
Base-Backbone interact. energy: -0.210
local terms energy: -67.382386
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -111.723523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.723523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.723523 (E_RNA)
where:
Base-Base interactions energy: -64.453
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.097
local terms energy: -47.173090
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -8.011
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -88.918406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.918406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.918406 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.023
local terms energy: -51.023712
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -84.560979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.560979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.560979 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.050
local terms energy: -54.199625
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.086
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: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -222.446505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.446505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446505 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.013
local terms energy: -75.030739
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -192.198454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.198454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.198454 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -59.276
Base-Backbone interact. energy: 1.302
local terms energy: -69.772369
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.166
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -201.529043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.529043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.529043 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.011
local terms energy: -78.462802
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -180.299349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.299349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.299349 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.142
local terms energy: -66.449633
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -172.050650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.050650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.050650 (E_RNA)
where:
Base-Base interactions energy: -102.550
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.045
local terms energy: -69.455357
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -153.395678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.395678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.395678 (E_RNA)
where:
Base-Base interactions energy: -90.150
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.044
local terms energy: -63.202062
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -145.800983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.800983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.800983 (E_RNA)
where:
Base-Base interactions energy: -83.206
where: short stacking energy: -39.831
Base-Backbone interact. energy: -0.020
local terms energy: -62.575104
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -90.853667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.853667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.853667 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.273
local terms energy: -53.706620
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -88.578083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578083 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -19.742
Base-Backbone interact. energy: -0.220
local terms energy: -52.790300
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -78.151221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.151221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.151221 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -22.127
Base-Backbone interact. energy: 1.481
local terms energy: -50.109172
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.599
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -227.647010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.647010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.647010 (E_RNA)
where:
Base-Base interactions energy: -148.946
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.271
local terms energy: -78.430328
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -208.104299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.104299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.104299 (E_RNA)
where:
Base-Base interactions energy: -135.420
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.373
local terms energy: -72.311160
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -181.818000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.818000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.818000 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.481
local terms energy: -68.736791
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -176.783572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.783572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.783572 (E_RNA)
where:
Base-Base interactions energy: -112.758
where: short stacking energy: -48.617
Base-Backbone interact. energy: 0.248
local terms energy: -64.273502
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -167.411968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.411968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.411968 (E_RNA)
where:
Base-Base interactions energy: -102.115
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.298
local terms energy: -64.998875
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -7.292
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -145.687310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.687310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.687310 (E_RNA)
where:
Base-Base interactions energy: -87.335
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.268
local terms energy: -58.084097
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -140.739710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.739710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.739710 (E_RNA)
where:
Base-Base interactions energy: -83.923
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.034
local terms energy: -56.782475
where:
bonds (distance) C4'-P energy: -4.092
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -105.004081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.004081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.004081 (E_RNA)
where:
Base-Base interactions energy: -53.016
where: short stacking energy: -33.184
Base-Backbone interact. energy: 0.383
local terms energy: -52.370874
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -82.505077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.505077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.505077 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -24.561
Base-Backbone interact. energy: 0.433
local terms energy: -55.733079
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -89.632155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.632155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.632155 (E_RNA)
where:
Base-Base interactions energy: -40.939
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.561
local terms energy: -48.131735
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -218.435755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.435755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.435755 (E_RNA)
where:
Base-Base interactions energy: -142.186
where: short stacking energy: -73.834
Base-Backbone interact. energy: -0.016
local terms energy: -76.233524
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -209.716407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716407 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -73.277
Base-Backbone interact. energy: -0.088
local terms energy: -79.201232
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -188.164902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.164902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.164902 (E_RNA)
where:
Base-Base interactions energy: -123.132
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.762
local terms energy: -64.271209
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -185.432609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432609 (E_RNA)
where:
Base-Base interactions energy: -115.697
where: short stacking energy: -69.241
Base-Backbone interact. energy: 0.472
local terms energy: -70.207623
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -162.595658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.595658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.595658 (E_RNA)
where:
Base-Base interactions energy: -92.418
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.045
local terms energy: -70.132455
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -13.024
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: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -149.330057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.330057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.330057 (E_RNA)
where:
Base-Base interactions energy: -86.995
where: short stacking energy: -41.805
Base-Backbone interact. energy: -0.024
local terms energy: -62.311365
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -113.609514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.609514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.609514 (E_RNA)
where:
Base-Base interactions energy: -61.719
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.330
local terms energy: -51.560650
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -109.528680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.528680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.528680 (E_RNA)
where:
Base-Base interactions energy: -62.838
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.070
local terms energy: -46.621151
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -86.575404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.575404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.575404 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -25.284
Base-Backbone interact. energy: 3.717
local terms energy: -54.911148
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -78.010071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010071 (E_RNA)
where:
Base-Base interactions energy: -28.632
where: short stacking energy: -26.391
Base-Backbone interact. energy: 0.990
local terms energy: -50.368008
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.313
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -217.995619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.995619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.995619 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -67.742
Base-Backbone interact. energy: -0.547
local terms energy: -71.873995
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -204.944213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.944213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.944213 (E_RNA)
where:
Base-Base interactions energy: -128.426
where: short stacking energy: -66.265
Base-Backbone interact. energy: -0.005
local terms energy: -76.513082
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -166.841051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.841051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.841051 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.315
local terms energy: -64.398630
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -6.708
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: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -188.495586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.495586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495586 (E_RNA)
where:
Base-Base interactions energy: -123.545
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.113
local terms energy: -64.836890
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -165.624048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.624048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.624048 (E_RNA)
where:
Base-Base interactions energy: -108.716
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.084
local terms energy: -56.824581
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -161.149317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.149317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149317 (E_RNA)
where:
Base-Base interactions energy: -95.437
where: short stacking energy: -53.098
Base-Backbone interact. energy: 0.832
local terms energy: -66.544818
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -101.865239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.865239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.865239 (E_RNA)
where:
Base-Base interactions energy: -54.940
where: short stacking energy: -32.944
Base-Backbone interact. energy: 1.028
local terms energy: -47.953030
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -0.782
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -88.313864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.313864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.313864 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -31.521
Base-Backbone interact. energy: -0.334
local terms energy: -52.717823
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -110.298457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.298457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.298457 (E_RNA)
where:
Base-Base interactions energy: -59.278
where: short stacking energy: -27.133
Base-Backbone interact. energy: -0.286
local terms energy: -50.734964
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -88.510814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.510814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.510814 (E_RNA)
where:
Base-Base interactions energy: -45.176
where: short stacking energy: -22.307
Base-Backbone interact. energy: -1.025
local terms energy: -42.309891
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -213.728507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.728507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.728507 (E_RNA)
where:
Base-Base interactions energy: -135.480
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.001
local terms energy: -78.248136
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -21.512
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: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -207.910333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.910333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.910333 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -61.253
Base-Backbone interact. energy: -0.003
local terms energy: -78.702571
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -163.687422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.687422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.687422 (E_RNA)
where:
Base-Base interactions energy: -99.445
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.139
local terms energy: -64.103811
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -187.995777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995777 (E_RNA)
where:
Base-Base interactions energy: -119.311
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.089
local terms energy: -68.595332
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -145.568562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.568562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.568562 (E_RNA)
where:
Base-Base interactions energy: -92.328
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.155
local terms energy: -53.084940
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -186.939068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.939068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.939068 (E_RNA)
where:
Base-Base interactions energy: -119.656
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.064
local terms energy: -67.218629
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -100.603178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.603178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.603178 (E_RNA)
where:
Base-Base interactions energy: -55.282
where: short stacking energy: -16.627
Base-Backbone interact. energy: 0.858
local terms energy: -46.179500
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -79.861741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.861741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.861741 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -29.901
Base-Backbone interact. energy: -0.143
local terms energy: -49.817712
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -4.611
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: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -120.439133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.439133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.439133 (E_RNA)
where:
Base-Base interactions energy: -67.273
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.295
local terms energy: -52.870802
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -79.933494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933494 (E_RNA)
where:
Base-Base interactions energy: -30.801
where: short stacking energy: -30.801
Base-Backbone interact. energy: -0.132
local terms energy: -49.000697
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -217.059902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.059902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.059902 (E_RNA)
where:
Base-Base interactions energy: -142.680
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.003
local terms energy: -74.376744
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -10.089
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: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -223.480532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.480532 (E_RNA)
where:
Base-Base interactions energy: -149.099
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.752
local terms energy: -73.629965
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -183.386138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.386138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.386138 (E_RNA)
where:
Base-Base interactions energy: -107.099
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.139
local terms energy: -76.147916
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -172.330863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.330863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330863 (E_RNA)
where:
Base-Base interactions energy: -98.091
where: short stacking energy: -52.508
Base-Backbone interact. energy: -1.219
local terms energy: -73.020916
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -9.347
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: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -156.733442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.733442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.733442 (E_RNA)
where:
Base-Base interactions energy: -101.661
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.922
local terms energy: -54.150871
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: -9.286
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -188.277420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.277420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.277420 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.005
local terms energy: -70.672592
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -18.757
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -91.699265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.699265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.699265 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.198
local terms energy: -42.436388
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -6.239
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: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -99.685653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.685653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.685653 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.261
local terms energy: -63.341162
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -83.125335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125335 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.306
local terms energy: -47.358674
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -72.403698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.403698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.403698 (E_RNA)
where:
Base-Base interactions energy: -24.657
where: short stacking energy: -24.208
Base-Backbone interact. energy: 1.526
local terms energy: -49.272159
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -221.987950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.987950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.987950 (E_RNA)
where:
Base-Base interactions energy: -137.984
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.001
local terms energy: -84.003521
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -14.245
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: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -206.878605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.878605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.878605 (E_RNA)
where:
Base-Base interactions energy: -133.568
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.808
local terms energy: -72.502638
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -20.213
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: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -194.601127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.601127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.601127 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -55.957
Base-Backbone interact. energy: -0.057
local terms energy: -79.422034
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -171.177793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.177793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.177793 (E_RNA)
where:
Base-Base interactions energy: -100.969
where: short stacking energy: -50.540
Base-Backbone interact. energy: -0.722
local terms energy: -69.486774
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -194.434333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.434333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.434333 (E_RNA)
where:
Base-Base interactions energy: -123.103
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.239
local terms energy: -71.092641
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -143.529760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.529760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.529760 (E_RNA)
where:
Base-Base interactions energy: -90.436
where: short stacking energy: -41.401
Base-Backbone interact. energy: 1.486
local terms energy: -54.579823
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -5.290
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -89.201952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.201952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.201952 (E_RNA)
where:
Base-Base interactions energy: -49.871
where: short stacking energy: -36.236
Base-Backbone interact. energy: 0.675
local terms energy: -40.006559
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: 3.158
tors. eta vs tors. theta energy: 2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -87.180967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.180967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.180967 (E_RNA)
where:
Base-Base interactions energy: -33.047
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.544
local terms energy: -53.589540
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.410142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410142 (E_RNA)
where:
Base-Base interactions energy: -27.641
where: short stacking energy: -27.641
Base-Backbone interact. energy: 3.086
local terms energy: -61.855882
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.455780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.455780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.455780 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.297
local terms energy: -48.026201
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -221.045642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.045642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.045642 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.323
local terms energy: -76.350969
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -20.767
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: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -203.213084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.213084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.213084 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.098
local terms energy: -78.573205
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -190.278871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.278871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.278871 (E_RNA)
where:
Base-Base interactions energy: -119.817
where: short stacking energy: -63.395
Base-Backbone interact. energy: -0.033
local terms energy: -70.428833
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -176.976910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.976910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976910 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.018
local terms energy: -61.000772
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -6.261
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: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -157.978688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.978688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.978688 (E_RNA)
where:
Base-Base interactions energy: -100.717
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.179
local terms energy: -57.082820
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -159.139816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.139816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.139816 (E_RNA)
where:
Base-Base interactions energy: -94.392
where: short stacking energy: -49.298
Base-Backbone interact. energy: -0.110
local terms energy: -64.637822
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -100.330370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.330370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.330370 (E_RNA)
where:
Base-Base interactions energy: -53.540
where: short stacking energy: -34.960
Base-Backbone interact. energy: 0.083
local terms energy: -46.873361
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -9.861
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: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -90.774788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774788 (E_RNA)
where:
Base-Base interactions energy: -37.892
where: short stacking energy: -37.516
Base-Backbone interact. energy: -0.189
local terms energy: -52.694333
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -1.542
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -78.123920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.123920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.123920 (E_RNA)
where:
Base-Base interactions energy: -27.916
where: short stacking energy: -24.362
Base-Backbone interact. energy: -0.054
local terms energy: -50.153931
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.294
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: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -73.718398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.718398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.718398 (E_RNA)
where:
Base-Base interactions energy: -26.990
where: short stacking energy: -21.301
Base-Backbone interact. energy: -0.932
local terms energy: -45.797161
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -216.543386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.543386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.543386 (E_RNA)
where:
Base-Base interactions energy: -133.575
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.031
local terms energy: -82.936855
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -219.353448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.353448 (E_RNA)
where:
Base-Base interactions energy: -142.468
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.482
local terms energy: -76.402877
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -197.352040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.352040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352040 (E_RNA)
where:
Base-Base interactions energy: -129.856
where: short stacking energy: -75.434
Base-Backbone interact. energy: -0.434
local terms energy: -67.062608
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -181.681046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.681046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.681046 (E_RNA)
where:
Base-Base interactions energy: -109.576
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.001
local terms energy: -72.103185
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -158.864580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.864580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.864580 (E_RNA)
where:
Base-Base interactions energy: -105.899
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.102
local terms energy: -52.863376
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -160.749466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.749466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.749466 (E_RNA)
where:
Base-Base interactions energy: -97.450
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.062
local terms energy: -63.237546
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.411
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: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -94.641202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641202 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.110
local terms energy: -53.863387
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -80.903111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.903111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.903111 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -27.113
Base-Backbone interact. energy: 0.207
local terms energy: -42.604283
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -89.590260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.590260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.590260 (E_RNA)
where:
Base-Base interactions energy: -39.376
where: short stacking energy: -37.201
Base-Backbone interact. energy: -0.079
local terms energy: -50.135058
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -89.432090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432090 (E_RNA)
where:
Base-Base interactions energy: -31.815
where: short stacking energy: -31.320
Base-Backbone interact. energy: -0.007
local terms energy: -57.610105
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -215.112887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112887 (E_RNA)
where:
Base-Base interactions energy: -132.069
where: short stacking energy: -69.022
Base-Backbone interact. energy: -0.594
local terms energy: -82.450285
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -23.071
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -220.433847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.433847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.433847 (E_RNA)
where:
Base-Base interactions energy: -141.259
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.021
local terms energy: -79.153761
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -201.405024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.405024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.405024 (E_RNA)
where:
Base-Base interactions energy: -129.665
where: short stacking energy: -59.706
Base-Backbone interact. energy: -0.186
local terms energy: -71.553937
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -169.529631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.529631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.529631 (E_RNA)
where:
Base-Base interactions energy: -98.870
where: short stacking energy: -63.185
Base-Backbone interact. energy: -0.055
local terms energy: -70.604534
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -169.331483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.331483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.331483 (E_RNA)
where:
Base-Base interactions energy: -104.604
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.572
local terms energy: -64.154986
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -100.949758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.949758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.949758 (E_RNA)
where:
Base-Base interactions energy: -49.717
where: short stacking energy: -47.059
Base-Backbone interact. energy: -0.006
local terms energy: -51.227004
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -8.752
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: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -140.174519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.174519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.174519 (E_RNA)
where:
Base-Base interactions energy: -81.306
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.099
local terms energy: -58.769558
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -96.497342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.497342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.497342 (E_RNA)
where:
Base-Base interactions energy: -41.767
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.276
local terms energy: -54.454057
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -78.452900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.452900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.452900 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -22.168
Base-Backbone interact. energy: -0.547
local terms energy: -43.097703
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -7.807
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: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -72.806868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.806868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.806868 (E_RNA)
where:
Base-Base interactions energy: -30.086
where: short stacking energy: -30.086
Base-Backbone interact. energy: 0.022
local terms energy: -42.742843
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -2.199
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: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -224.399446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.399446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.399446 (E_RNA)
where:
Base-Base interactions energy: -146.293
where: short stacking energy: -77.558
Base-Backbone interact. energy: -0.763
local terms energy: -77.344005
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -208.928451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.928451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.928451 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.001
local terms energy: -75.704413
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -12.284
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: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -209.459520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.459520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.459520 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.343
local terms energy: -67.626123
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -165.062789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.062789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.062789 (E_RNA)
where:
Base-Base interactions energy: -98.952
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.094
local terms energy: -66.016825
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -171.831153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831153 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -54.778
Base-Backbone interact. energy: 0.136
local terms energy: -60.928439
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -133.846356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.846356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.846356 (E_RNA)
where:
Base-Base interactions energy: -70.718
where: short stacking energy: -36.888
Base-Backbone interact. energy: -0.329
local terms energy: -62.798966
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -131.384498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.384498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.384498 (E_RNA)
where:
Base-Base interactions energy: -70.682
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.124
local terms energy: -60.578467
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -91.202305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202305 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -30.384
Base-Backbone interact. energy: -0.214
local terms energy: -52.653279
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -81.990688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.990688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.990688 (E_RNA)
where:
Base-Base interactions energy: -26.314
where: short stacking energy: -18.580
Base-Backbone interact. energy: -0.155
local terms energy: -55.522065
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -10.509
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: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -75.044813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044813 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -24.059
Base-Backbone interact. energy: 0.214
local terms energy: -42.344225
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -225.667853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.667853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.667853 (E_RNA)
where:
Base-Base interactions energy: -146.529
where: short stacking energy: -76.828
Base-Backbone interact. energy: 0.726
local terms energy: -79.864773
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -21.027
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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -198.055518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.055518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.055518 (E_RNA)
where:
Base-Base interactions energy: -123.148
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.009
local terms energy: -74.897581
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -203.055255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.055255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.055255 (E_RNA)
where:
Base-Base interactions energy: -127.909
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.419
local terms energy: -74.727450
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.552
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: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -172.514367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.514367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.514367 (E_RNA)
where:
Base-Base interactions energy: -108.361
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.017
local terms energy: -64.136949
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -168.565148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.565148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.565148 (E_RNA)
where:
Base-Base interactions energy: -99.850
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.006
local terms energy: -68.709524
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -138.208925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.208925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.208925 (E_RNA)
where:
Base-Base interactions energy: -77.685
where: short stacking energy: -42.781
Base-Backbone interact. energy: -0.302
local terms energy: -60.221709
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -146.489385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.489385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.489385 (E_RNA)
where:
Base-Base interactions energy: -90.517
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.044
local terms energy: -55.927987
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -5.881
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: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -84.739381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739381 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -30.233
Base-Backbone interact. energy: -0.069
local terms energy: -52.737687
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -0.003
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -85.855281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.855281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.855281 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.480
local terms energy: -47.833098
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -97.874210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874210 (E_RNA)
where:
Base-Base interactions energy: -56.067
where: short stacking energy: -25.091
Base-Backbone interact. energy: -0.410
local terms energy: -41.396794
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -208.528491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.528491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.528491 (E_RNA)
where:
Base-Base interactions energy: -133.018
where: short stacking energy: -71.825
Base-Backbone interact. energy: -1.340
local terms energy: -74.169701
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -220.677892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.677892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.677892 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -73.172
Base-Backbone interact. energy: -1.417
local terms energy: -76.599155
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -183.724140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724140 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.303
local terms energy: -70.260407
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -20.569
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -185.124721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.124721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.124721 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.154
local terms energy: -67.750818
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -164.290738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.290738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.290738 (E_RNA)
where:
Base-Base interactions energy: -96.937
where: short stacking energy: -49.871
Base-Backbone interact. energy: -1.019
local terms energy: -66.334783
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -155.270523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.270523 (E_RNA)
where:
Base-Base interactions energy: -97.641
where: short stacking energy: -48.966
Base-Backbone interact. energy: 1.414
local terms energy: -59.044175
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -161.421615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.421615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.421615 (E_RNA)
where:
Base-Base interactions energy: -95.084
where: short stacking energy: -43.170
Base-Backbone interact. energy: -0.015
local terms energy: -66.323500
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -83.493370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.493370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.493370 (E_RNA)
where:
Base-Base interactions energy: -32.846
where: short stacking energy: -32.502
Base-Backbone interact. energy: 0.342
local terms energy: -50.989009
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -102.439682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.439682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.439682 (E_RNA)
where:
Base-Base interactions energy: -51.947
where: short stacking energy: -40.413
Base-Backbone interact. energy: -0.794
local terms energy: -49.697829
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -80.232436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.232436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.232436 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -21.645
Base-Backbone interact. energy: -0.224
local terms energy: -45.554570
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -215.211251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.211251 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -75.517
Base-Backbone interact. energy: -1.319
local terms energy: -74.556704
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -21.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -218.292668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.292668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.292668 (E_RNA)
where:
Base-Base interactions energy: -144.983
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.009
local terms energy: -73.301303
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -189.299644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.299644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.299644 (E_RNA)
where:
Base-Base interactions energy: -125.178
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.941
local terms energy: -63.181047
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -184.536354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.536354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.536354 (E_RNA)
where:
Base-Base interactions energy: -116.272
where: short stacking energy: -59.243
Base-Backbone interact. energy: -1.688
local terms energy: -66.577023
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -169.193822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.193822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.193822 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.152
local terms energy: -61.051215
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -176.366211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.366211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.366211 (E_RNA)
where:
Base-Base interactions energy: -108.367
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.099
local terms energy: -67.899546
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -162.022459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.022459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.022459 (E_RNA)
where:
Base-Base interactions energy: -98.028
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.053
local terms energy: -63.941639
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.846
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: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -167.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323835 (E_RNA)
where:
Base-Base interactions energy: -110.645
where: short stacking energy: -57.785
Base-Backbone interact. energy: 1.624
local terms energy: -58.302664
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -80.605389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.605389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.605389 (E_RNA)
where:
Base-Base interactions energy: -34.149
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.243
local terms energy: -46.213503
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -75.333270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.333270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.333270 (E_RNA)
where:
Base-Base interactions energy: -18.574
where: short stacking energy: -18.574
Base-Backbone interact. energy: -0.022
local terms energy: -56.737410
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -210.490464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490464 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.704
local terms energy: -74.080557
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -19.036
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -215.688856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688856 (E_RNA)
where:
Base-Base interactions energy: -137.257
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.000
local terms energy: -78.432018
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -214.357681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.357681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.357681 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.101
local terms energy: -76.344011
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.862
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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -199.590888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.590888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.590888 (E_RNA)
where:
Base-Base interactions energy: -128.532
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.015
local terms energy: -71.044168
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -184.456456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.456456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.456456 (E_RNA)
where:
Base-Base interactions energy: -116.832
where: short stacking energy: -62.349
Base-Backbone interact. energy: -0.001
local terms energy: -67.623018
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.022
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: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -146.066653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.066653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.066653 (E_RNA)
where:
Base-Base interactions energy: -86.263
where: short stacking energy: -43.902
Base-Backbone interact. energy: -0.108
local terms energy: -59.696185
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -7.045
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: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -161.854449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.854449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.854449 (E_RNA)
where:
Base-Base interactions energy: -100.473
where: short stacking energy: -47.027
Base-Backbone interact. energy: -0.121
local terms energy: -61.260450
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -150.498524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.498524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.498524 (E_RNA)
where:
Base-Base interactions energy: -93.801
where: short stacking energy: -40.993
Base-Backbone interact. energy: -0.033
local terms energy: -56.664042
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -77.805590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805590 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -31.096
Base-Backbone interact. energy: 0.338
local terms energy: -46.053975
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -76.211170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211170 (E_RNA)
where:
Base-Base interactions energy: -27.887
where: short stacking energy: -24.256
Base-Backbone interact. energy: 0.275
local terms energy: -48.599464
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -208.611202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611202 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.086
local terms energy: -78.701970
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -213.129886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.129886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.129886 (E_RNA)
where:
Base-Base interactions energy: -140.609
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.347
local terms energy: -72.173379
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -213.258700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258700 (E_RNA)
where:
Base-Base interactions energy: -138.925
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.031
local terms energy: -74.302231
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -195.304475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.304475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.304475 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -65.740
Base-Backbone interact. energy: -1.209
local terms energy: -69.683065
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -176.055885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.055885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.055885 (E_RNA)
where:
Base-Base interactions energy: -115.691
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.108
local terms energy: -60.256909
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -163.271836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.271836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.271836 (E_RNA)
where:
Base-Base interactions energy: -101.422
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.009
local terms energy: -61.840629
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -89.549439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549439 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -33.292
Base-Backbone interact. energy: -0.016
local terms energy: -56.241605
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -93.309554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.309554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.309554 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.078
local terms energy: -56.555231
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -80.873119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873119 (E_RNA)
where:
Base-Base interactions energy: -34.506
where: short stacking energy: -19.963
Base-Backbone interact. energy: -0.095
local terms energy: -46.271442
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -75.652798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.652798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.652798 (E_RNA)
where:
Base-Base interactions energy: -24.849
where: short stacking energy: -13.942
Base-Backbone interact. energy: -0.218
local terms energy: -50.586234
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: 4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -215.465386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.465386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.465386 (E_RNA)
where:
Base-Base interactions energy: -142.898
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.007
local terms energy: -72.561081
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -15.951
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: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -203.926172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.926172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.926172 (E_RNA)
where:
Base-Base interactions energy: -130.280
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.100
local terms energy: -73.546761
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -195.413976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413976 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.021
local terms energy: -70.472987
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -196.889136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.889136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.889136 (E_RNA)
where:
Base-Base interactions energy: -126.036
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.377
local terms energy: -70.476249
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -16.538
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: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -158.523122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.523122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.523122 (E_RNA)
where:
Base-Base interactions energy: -100.812
where: short stacking energy: -52.631
Base-Backbone interact. energy: -0.016
local terms energy: -57.695406
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -163.411361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.411361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.411361 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.086
local terms energy: -63.093470
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -89.795914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.795914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.795914 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -22.180
Base-Backbone interact. energy: 0.397
local terms energy: -53.345056
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.781208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781208 (E_RNA)
where:
Base-Base interactions energy: -44.198
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.070
local terms energy: -44.513825
where:
bonds (distance) C4'-P energy: -3.995
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -80.373525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.373525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.373525 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -23.347
Base-Backbone interact. energy: -0.294
local terms energy: -50.326362
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -5.195
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: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -81.100004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.100004 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -31.064
Base-Backbone interact. energy: -0.291
local terms energy: -43.742428
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -212.806480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.806480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.806480 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.263
local terms energy: -67.817905
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -203.134728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.134728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.134728 (E_RNA)
where:
Base-Base interactions energy: -132.088
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.027
local terms energy: -71.019602
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -206.358623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358623 (E_RNA)
where:
Base-Base interactions energy: -129.692
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.015
local terms energy: -76.651869
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -186.467152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.467152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.467152 (E_RNA)
where:
Base-Base interactions energy: -121.248
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.393
local terms energy: -64.826617
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -170.067104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.067104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.067104 (E_RNA)
where:
Base-Base interactions energy: -103.619
where: short stacking energy: -37.482
Base-Backbone interact. energy: -0.073
local terms energy: -66.375087
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -152.622024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.622024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.622024 (E_RNA)
where:
Base-Base interactions energy: -95.217
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.146
local terms energy: -57.258719
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -94.963969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.963969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.963969 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.349
local terms energy: -48.485834
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -86.008981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008981 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.177
local terms energy: -49.912920
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -11.461
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -83.135506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135506 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.128
local terms energy: -48.966328
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.338
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: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -87.045679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.045679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.045679 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -27.142
Base-Backbone interact. energy: 0.084
local terms energy: -50.619264
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -205.012775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.012775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.012775 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.024
local terms energy: -76.902372
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -212.609381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609381 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -65.731
Base-Backbone interact. energy: -1.242
local terms energy: -71.718200
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.505
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -193.743049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.743049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.743049 (E_RNA)
where:
Base-Base interactions energy: -124.498
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.248
local terms energy: -68.997105
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -194.587662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587662 (E_RNA)
where:
Base-Base interactions energy: -125.674
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.217
local terms energy: -68.696829
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -169.309666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.309666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.309666 (E_RNA)
where:
Base-Base interactions energy: -106.898
where: short stacking energy: -49.128
Base-Backbone interact. energy: -0.067
local terms energy: -62.343803
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -169.076196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.076196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.076196 (E_RNA)
where:
Base-Base interactions energy: -102.423
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.014
local terms energy: -66.638998
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -11.571
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: 58
Temperature: 1.200000
Total energy: -96.141475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141475 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -39.741
Base-Backbone interact. energy: -1.844
local terms energy: -50.733998
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -90.037986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.037986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.037986 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -31.671
Base-Backbone interact. energy: -0.130
local terms energy: -56.553741
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.935205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.935205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.935205 (E_RNA)
where:
Base-Base interactions energy: -27.253
where: short stacking energy: -24.748
Base-Backbone interact. energy: -0.121
local terms energy: -55.561238
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -74.370694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.370694 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.129
local terms energy: -46.295950
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -205.066078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.066078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.066078 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -52.105
Base-Backbone interact. energy: 0.457
local terms energy: -65.422246
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -229.969274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.969274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.969274 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -71.807
Base-Backbone interact. energy: 0.480
local terms energy: -75.086937
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.759
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -197.133593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.133593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133593 (E_RNA)
where:
Base-Base interactions energy: -128.920
where: short stacking energy: -64.889
Base-Backbone interact. energy: -0.404
local terms energy: -67.809622
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -206.843164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.843164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.843164 (E_RNA)
where:
Base-Base interactions energy: -133.327
where: short stacking energy: -64.976
Base-Backbone interact. energy: -1.441
local terms energy: -72.075051
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -178.427085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.427085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.427085 (E_RNA)
where:
Base-Base interactions energy: -118.049
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.027
local terms energy: -60.350971
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -147.722673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.722673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.722673 (E_RNA)
where:
Base-Base interactions energy: -84.604
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.076
local terms energy: -63.042790
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -96.707014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.707014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.707014 (E_RNA)
where:
Base-Base interactions energy: -47.661
where: short stacking energy: -35.357
Base-Backbone interact. energy: 0.334
local terms energy: -49.379992
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -5.033
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: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -103.528186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.528186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.528186 (E_RNA)
where:
Base-Base interactions energy: -53.018
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.636
local terms energy: -49.874571
where:
bonds (distance) C4'-P energy: -7.848
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -86.950464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950464 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -29.194
Base-Backbone interact. energy: -0.118
local terms energy: -53.718695
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -69.924725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.924725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.924725 (E_RNA)
where:
Base-Base interactions energy: -19.634
where: short stacking energy: -19.934
Base-Backbone interact. energy: -0.111
local terms energy: -50.180122
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -229.183118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.183118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.183118 (E_RNA)
where:
Base-Base interactions energy: -159.452
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.468
local terms energy: -69.262810
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -16.846
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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -216.410351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.410351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410351 (E_RNA)
where:
Base-Base interactions energy: -136.564
where: short stacking energy: -64.630
Base-Backbone interact. energy: -1.240
local terms energy: -78.606182
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -218.812893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.812893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.812893 (E_RNA)
where:
Base-Base interactions energy: -150.892
where: short stacking energy: -75.167
Base-Backbone interact. energy: -0.289
local terms energy: -67.631286
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -190.284534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284534 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.013
local terms energy: -77.574566
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -172.526814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.526814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.526814 (E_RNA)
where:
Base-Base interactions energy: -108.762
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.070
local terms energy: -63.694855
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -12.580
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: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -169.731580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.731580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.731580 (E_RNA)
where:
Base-Base interactions energy: -102.934
where: short stacking energy: -44.331
Base-Backbone interact. energy: -0.102
local terms energy: -66.695668
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -97.583219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583219 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.183
local terms energy: -57.055574
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -5.239
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: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -92.150538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.150538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.150538 (E_RNA)
where:
Base-Base interactions energy: -40.638
where: short stacking energy: -34.417
Base-Backbone interact. energy: 0.325
local terms energy: -51.837120
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -76.159644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.159644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.159644 (E_RNA)
where:
Base-Base interactions energy: -27.256
where: short stacking energy: -27.256
Base-Backbone interact. energy: -0.257
local terms energy: -48.646512
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -2.013
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: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -78.462451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462451 (E_RNA)
where:
Base-Base interactions energy: -27.100
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.025
local terms energy: -51.338079
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -235.546378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.546378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.546378 (E_RNA)
where:
Base-Base interactions energy: -161.506
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.605
local terms energy: -73.435757
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -214.555697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.555697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.555697 (E_RNA)
where:
Base-Base interactions energy: -136.518
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.715
local terms energy: -77.323177
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -203.353889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353889 (E_RNA)
where:
Base-Base interactions energy: -129.254
where: short stacking energy: -65.023
Base-Backbone interact. energy: -1.263
local terms energy: -72.836470
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -174.497192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.497192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.497192 (E_RNA)
where:
Base-Base interactions energy: -103.028
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.022
local terms energy: -71.446686
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -178.458005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458005 (E_RNA)
where:
Base-Base interactions energy: -113.440
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.001
local terms energy: -65.016576
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -161.764423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.764423 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.140
local terms energy: -61.545411
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -83.123131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.123131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.123131 (E_RNA)
where:
Base-Base interactions energy: -33.565
where: short stacking energy: -24.426
Base-Backbone interact. energy: -1.206
local terms energy: -48.351586
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -80.231203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.231203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.231203 (E_RNA)
where:
Base-Base interactions energy: -22.193
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.122
local terms energy: -57.916084
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -85.066623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066623 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.100
local terms energy: -52.186051
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.626
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: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -69.468295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.468295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.468295 (E_RNA)
where:
Base-Base interactions energy: -21.728
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.038
local terms energy: -47.702126
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: 0.297
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: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -231.784022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.784022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.784022 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -73.047
Base-Backbone interact. energy: -1.179
local terms energy: -76.715232
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -217.771515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.771515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.771515 (E_RNA)
where:
Base-Base interactions energy: -143.488
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.958
local terms energy: -73.326178
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -202.613100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.613100 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.001
local terms energy: -76.195035
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -179.936198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.936198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.936198 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.029
local terms energy: -67.739094
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -14.866
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: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -177.364719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.364719 (E_RNA)
where:
Base-Base interactions energy: -117.649
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.302
local terms energy: -59.413495
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -12.166
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: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -156.812124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.812124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.812124 (E_RNA)
where:
Base-Base interactions energy: -99.263
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.598
local terms energy: -56.950567
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -12.408
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: 62
Temperature: 1.200000
Total energy: -97.129021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129021 (E_RNA)
where:
Base-Base interactions energy: -42.400
where: short stacking energy: -35.729
Base-Backbone interact. energy: -0.019
local terms energy: -54.710491
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -92.289604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289604 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.399
local terms energy: -61.429830
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.486
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.782924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.782924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.782924 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -27.074
Base-Backbone interact. energy: 0.536
local terms energy: -51.257837
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -83.382050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382050 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.102
local terms energy: -43.586830
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -231.086065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086065 (E_RNA)
where:
Base-Base interactions energy: -155.286
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.307
local terms energy: -75.493450
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -200.315269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.315269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.315269 (E_RNA)
where:
Base-Base interactions energy: -120.052
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.164
local terms energy: -80.099697
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -9.440
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: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -216.587196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.587196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.587196 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.663
local terms energy: -75.989552
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -176.474700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.474700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.474700 (E_RNA)
where:
Base-Base interactions energy: -108.370
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.607
local terms energy: -67.498054
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -13.509
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: 63
Temperature: 1.100000
Total energy: -156.379104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.379104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.379104 (E_RNA)
where:
Base-Base interactions energy: -102.839
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.176
local terms energy: -53.364957
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -7.721
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -8.353
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: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -90.971484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.971484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.971484 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -14.365
Base-Backbone interact. energy: 0.512
local terms energy: -56.457436
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -156.508993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.508993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.508993 (E_RNA)
where:
Base-Base interactions energy: -100.333
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.163
local terms energy: -56.013256
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -90.749086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.749086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.749086 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -35.081
Base-Backbone interact. energy: 0.229
local terms energy: -47.130658
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -79.607327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.607327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.607327 (E_RNA)
where:
Base-Base interactions energy: -31.447
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.135
local terms energy: -48.024951
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -2.609
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -71.251580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.251580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.251580 (E_RNA)
where:
Base-Base interactions energy: -25.710
where: short stacking energy: -23.907
Base-Backbone interact. energy: -0.089
local terms energy: -45.453105
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -233.688494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.688494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.688494 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -68.838
Base-Backbone interact. energy: -0.583
local terms energy: -77.995998
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -203.578487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.578487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.578487 (E_RNA)
where:
Base-Base interactions energy: -132.539
where: short stacking energy: -71.774
Base-Backbone interact. energy: 1.352
local terms energy: -72.391553
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -182.062680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.062680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.062680 (E_RNA)
where:
Base-Base interactions energy: -109.974
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.047
local terms energy: -72.041800
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -207.449895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.449895 (E_RNA)
where:
Base-Base interactions energy: -134.591
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.029
local terms energy: -72.829954
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -90.856027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.856027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.856027 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -35.020
Base-Backbone interact. energy: -0.063
local terms energy: -53.171965
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -161.052948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.052948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.052948 (E_RNA)
where:
Base-Base interactions energy: -108.886
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.208
local terms energy: -51.958686
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -144.799577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.799577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.799577 (E_RNA)
where:
Base-Base interactions energy: -87.381
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.346
local terms energy: -57.073369
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -101.560050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.560050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.560050 (E_RNA)
where:
Base-Base interactions energy: -59.976
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.005
local terms energy: -41.579581
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -4.757
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: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -89.900246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.900246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.900246 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.045
local terms energy: -46.921270
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -8.390
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -87.150557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.150557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.150557 (E_RNA)
where:
Base-Base interactions energy: -29.622
where: short stacking energy: -27.219
Base-Backbone interact. energy: -0.118
local terms energy: -57.410362
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -7.435
flat angles P-C4'-P energy: -9.845
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -234.030639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.030639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.030639 (E_RNA)
where:
Base-Base interactions energy: -153.575
where: short stacking energy: -74.392
Base-Backbone interact. energy: -0.255
local terms energy: -80.200116
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -213.881883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.881883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.881883 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.023
local terms energy: -77.923110
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -183.083485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.083485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.083485 (E_RNA)
where:
Base-Base interactions energy: -108.475
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.001
local terms energy: -74.607379
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -198.564400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.564400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564400 (E_RNA)
where:
Base-Base interactions energy: -129.754
where: short stacking energy: -60.719
Base-Backbone interact. energy: 0.101
local terms energy: -68.912205
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -103.416823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.416823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.416823 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.048
local terms energy: -57.097106
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -156.320906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.320906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.320906 (E_RNA)
where:
Base-Base interactions energy: -99.979
where: short stacking energy: -46.672
Base-Backbone interact. energy: -0.437
local terms energy: -55.904764
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -145.893074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.893074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.893074 (E_RNA)
where:
Base-Base interactions energy: -85.717
where: short stacking energy: -35.885
Base-Backbone interact. energy: -0.459
local terms energy: -59.716842
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -82.756824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756824 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -23.707
Base-Backbone interact. energy: -0.756
local terms energy: -51.488795
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -5.589
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: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -82.335983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335983 (E_RNA)
where:
Base-Base interactions energy: -33.326
where: short stacking energy: -33.326
Base-Backbone interact. energy: -0.209
local terms energy: -48.801052
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -77.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.143017 (E_RNA)
where:
Base-Base interactions energy: -26.408
where: short stacking energy: -17.218
Base-Backbone interact. energy: -0.120
local terms energy: -50.615175
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -234.172416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.172416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.172416 (E_RNA)
where:
Base-Base interactions energy: -151.484
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.048
local terms energy: -82.639889
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.398
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: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -211.989516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.989516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.989516 (E_RNA)
where:
Base-Base interactions energy: -137.186
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.492
local terms energy: -74.311461
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -211.982979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.982979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.982979 (E_RNA)
where:
Base-Base interactions energy: -140.134
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.486
local terms energy: -71.363297
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -182.062379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.062379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.062379 (E_RNA)
where:
Base-Base interactions energy: -112.756
where: short stacking energy: -59.365
Base-Backbone interact. energy: -0.044
local terms energy: -69.261844
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -13.429
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: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -184.255133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.255133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.255133 (E_RNA)
where:
Base-Base interactions energy: -124.009
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.516
local terms energy: -59.730490
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -107.143917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.143917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.143917 (E_RNA)
where:
Base-Base interactions energy: -46.934
where: short stacking energy: -46.934
Base-Backbone interact. energy: -0.082
local terms energy: -60.128376
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -157.216938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.216938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.216938 (E_RNA)
where:
Base-Base interactions energy: -92.101
where: short stacking energy: -47.973
Base-Backbone interact. energy: -0.051
local terms energy: -65.065283
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -86.781057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781057 (E_RNA)
where:
Base-Base interactions energy: -43.408
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.249
local terms energy: -43.124546
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -4.189
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: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -94.970196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.970196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.970196 (E_RNA)
where:
Base-Base interactions energy: -42.501
where: short stacking energy: -40.670
Base-Backbone interact. energy: -2.396
local terms energy: -50.072613
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.660
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: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -94.409175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.409175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.409175 (E_RNA)
where:
Base-Base interactions energy: -35.541
where: short stacking energy: -30.386
Base-Backbone interact. energy: 0.051
local terms energy: -58.918415
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -9.321
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -229.257787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257787 (E_RNA)
where:
Base-Base interactions energy: -150.122
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.294
local terms energy: -78.842152
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -210.293611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.293611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.293611 (E_RNA)
where:
Base-Base interactions energy: -131.978
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.065
local terms energy: -78.250148
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -214.095828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.095828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.095828 (E_RNA)
where:
Base-Base interactions energy: -142.353
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.007
local terms energy: -71.735946
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -178.444710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.444710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.444710 (E_RNA)
where:
Base-Base interactions energy: -103.539
where: short stacking energy: -55.918
Base-Backbone interact. energy: 0.177
local terms energy: -75.082087
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -140.714351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.714351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.714351 (E_RNA)
where:
Base-Base interactions energy: -83.184
where: short stacking energy: -43.470
Base-Backbone interact. energy: -0.108
local terms energy: -57.421822
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -160.762024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.762024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.762024 (E_RNA)
where:
Base-Base interactions energy: -95.742
where: short stacking energy: -51.921
Base-Backbone interact. energy: -0.518
local terms energy: -64.501438
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -12.118
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: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -97.086315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.086315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.086315 (E_RNA)
where:
Base-Base interactions energy: -49.976
where: short stacking energy: -44.747
Base-Backbone interact. energy: -0.128
local terms energy: -46.981851
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -84.678514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.678514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.678514 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.172
local terms energy: -50.627962
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -82.762992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.762992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.762992 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.088
local terms energy: -48.368199
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -2.784
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -73.035588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.035588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.035588 (E_RNA)
where:
Base-Base interactions energy: -28.458
where: short stacking energy: -22.951
Base-Backbone interact. energy: -0.337
local terms energy: -44.240942
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -5.432
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: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -209.557424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.557424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.557424 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.257
local terms energy: -78.300083
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -226.393439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393439 (E_RNA)
where:
Base-Base interactions energy: -150.318
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.779
local terms energy: -75.297216
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -184.754605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.754605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.754605 (E_RNA)
where:
Base-Base interactions energy: -113.006
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.026
local terms energy: -71.722488
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -215.533785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.533785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.533785 (E_RNA)
where:
Base-Base interactions energy: -137.183
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.333
local terms energy: -78.017909
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.749
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: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -156.769437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.769437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.769437 (E_RNA)
where:
Base-Base interactions energy: -94.734
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.285
local terms energy: -61.750944
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -162.795259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.795259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.795259 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.040
local terms energy: -54.058522
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -98.550225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.550225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.550225 (E_RNA)
where:
Base-Base interactions energy: -46.140
where: short stacking energy: -32.403
Base-Backbone interact. energy: 0.904
local terms energy: -53.314801
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -5.292
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -93.928305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.928305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.928305 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.196
local terms energy: -53.654048
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.185517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185517 (E_RNA)
where:
Base-Base interactions energy: -29.426
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.179
local terms energy: -51.579931
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -95.255498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.255498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.255498 (E_RNA)
where:
Base-Base interactions energy: -37.479
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.050
local terms energy: -57.726897
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -208.549139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.549139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.549139 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.002
local terms energy: -80.629080
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -224.490263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.490263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.490263 (E_RNA)
where:
Base-Base interactions energy: -146.180
where: short stacking energy: -66.377
Base-Backbone interact. energy: -0.143
local terms energy: -78.167347
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -179.227776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227776 (E_RNA)
where:
Base-Base interactions energy: -112.375
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.151
local terms energy: -66.701759
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -206.601680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.601680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.601680 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.563
local terms energy: -67.776535
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -161.997213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.997213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.997213 (E_RNA)
where:
Base-Base interactions energy: -96.393
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.447
local terms energy: -65.157390
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -168.315986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.315986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.315986 (E_RNA)
where:
Base-Base interactions energy: -113.855
where: short stacking energy: -45.896
Base-Backbone interact. energy: 1.464
local terms energy: -55.924836
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -10.118
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: 69
Temperature: 1.200000
Total energy: -84.273264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273264 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.050
local terms energy: -52.560165
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -11.030
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: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -78.772589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772589 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -29.421
Base-Backbone interact. energy: 0.018
local terms energy: -49.369504
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.409364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409364 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -34.955
Base-Backbone interact. energy: 1.008
local terms energy: -53.462110
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -79.805375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.805375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.805375 (E_RNA)
where:
Base-Base interactions energy: -43.582
where: short stacking energy: -20.852
Base-Backbone interact. energy: 1.247
local terms energy: -37.470151
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -11.118
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -224.303065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.303065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.303065 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -65.244
Base-Backbone interact. energy: -1.562
local terms energy: -73.777612
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -203.849150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.849150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.849150 (E_RNA)
where:
Base-Base interactions energy: -124.355
where: short stacking energy: -65.053
Base-Backbone interact. energy: -2.246
local terms energy: -77.248190
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -202.546074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.546074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.546074 (E_RNA)
where:
Base-Base interactions energy: -125.351
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.006
local terms energy: -77.189146
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -172.330321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.330321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330321 (E_RNA)
where:
Base-Base interactions energy: -103.978
where: short stacking energy: -48.270
Base-Backbone interact. energy: -0.065
local terms energy: -68.287569
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -181.645300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.645300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.645300 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -40.859
Base-Backbone interact. energy: -1.234
local terms energy: -69.544015
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.938
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -171.123121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.123121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.123121 (E_RNA)
where:
Base-Base interactions energy: -109.031
where: short stacking energy: -59.770
Base-Backbone interact. energy: 2.182
local terms energy: -64.273602
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -86.363318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.363318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.363318 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.129
local terms energy: -50.946027
where:
bonds (distance) C4'-P energy: -7.970
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -86.729153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.729153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.729153 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.141
local terms energy: -51.076135
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -96.831241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.831241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.831241 (E_RNA)
where:
Base-Base interactions energy: -46.460
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.101
local terms energy: -50.269947
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -90.018907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018907 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.793
local terms energy: -48.044784
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -226.798075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.798075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.798075 (E_RNA)
where:
Base-Base interactions energy: -149.932
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.908
local terms energy: -75.958509
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -205.538061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.538061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.538061 (E_RNA)
where:
Base-Base interactions energy: -135.712
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.032
local terms energy: -69.794377
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -208.976543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.976543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.976543 (E_RNA)
where:
Base-Base interactions energy: -133.607
where: short stacking energy: -68.410
Base-Backbone interact. energy: -0.001
local terms energy: -75.368596
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -189.540782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.540782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.540782 (E_RNA)
where:
Base-Base interactions energy: -116.375
where: short stacking energy: -47.787
Base-Backbone interact. energy: 0.311
local terms energy: -73.476643
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -165.996844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.996844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.996844 (E_RNA)
where:
Base-Base interactions energy: -112.803
where: short stacking energy: -47.931
Base-Backbone interact. energy: -0.329
local terms energy: -52.864915
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -9.204
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: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -165.248350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.248350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.248350 (E_RNA)
where:
Base-Base interactions energy: -94.527
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.008
local terms energy: -70.713565
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -8.699
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: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -87.789110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789110 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.021
local terms energy: -48.391107
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -100.609811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609811 (E_RNA)
where:
Base-Base interactions energy: -49.129
where: short stacking energy: -26.648
Base-Backbone interact. energy: 0.956
local terms energy: -52.437508
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -85.338751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338751 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.164
local terms energy: -52.530662
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -81.943660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943660 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.008
local terms energy: -49.575809
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -8.444
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -219.985126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.985126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.985126 (E_RNA)
where:
Base-Base interactions energy: -139.893
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.591
local terms energy: -79.501092
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -19.331
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: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -221.824852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.824852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.824852 (E_RNA)
where:
Base-Base interactions energy: -150.455
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.415
local terms energy: -70.955127
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -191.104396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.104396 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.384
local terms energy: -65.750006
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -190.648289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.648289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.648289 (E_RNA)
where:
Base-Base interactions energy: -124.796
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.057
local terms energy: -65.795172
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -181.064942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.064942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.064942 (E_RNA)
where:
Base-Base interactions energy: -107.816
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.170
local terms energy: -73.078684
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -157.937799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.937799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.937799 (E_RNA)
where:
Base-Base interactions energy: -87.497
where: short stacking energy: -47.796
Base-Backbone interact. energy: -1.114
local terms energy: -69.326907
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -98.748950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.748950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.748950 (E_RNA)
where:
Base-Base interactions energy: -47.205
where: short stacking energy: -28.077
Base-Backbone interact. energy: 2.076
local terms energy: -53.620318
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -90.725442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.725442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.725442 (E_RNA)
where:
Base-Base interactions energy: -29.600
where: short stacking energy: -22.957
Base-Backbone interact. energy: -0.280
local terms energy: -60.845588
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -78.186779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.186779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.186779 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.131
local terms energy: -48.805809
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -79.714795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714795 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.066
local terms energy: -49.734456
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -221.848347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.848347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848347 (E_RNA)
where:
Base-Base interactions energy: -148.236
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.158
local terms energy: -73.454540
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -227.896934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.896934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.896934 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.282
local terms energy: -65.936721
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -199.474894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474894 (E_RNA)
where:
Base-Base interactions energy: -125.085
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.178
local terms energy: -74.211637
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -176.410489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.410489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.410489 (E_RNA)
where:
Base-Base interactions energy: -107.868
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.642
local terms energy: -67.900591
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -180.228715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.228715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.228715 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.351
local terms energy: -64.064449
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -107.339699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.339699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.339699 (E_RNA)
where:
Base-Base interactions energy: -61.835
where: short stacking energy: -41.325
Base-Backbone interact. energy: 1.164
local terms energy: -46.669256
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -156.237747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.237747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.237747 (E_RNA)
where:
Base-Base interactions energy: -98.672
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.613
local terms energy: -56.952032
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -89.863690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.863690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.863690 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.100
local terms energy: -58.159058
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.395152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395152 (E_RNA)
where:
Base-Base interactions energy: -25.465
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.026
local terms energy: -63.904566
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -87.351783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351783 (E_RNA)
where:
Base-Base interactions energy: -44.115
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.259
local terms energy: -42.978334
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -222.554675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.554675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.554675 (E_RNA)
where:
Base-Base interactions energy: -151.050
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.494
local terms energy: -71.010776
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -224.608887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.608887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.608887 (E_RNA)
where:
Base-Base interactions energy: -154.980
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.432
local terms energy: -69.196629
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -189.637703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.637703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.637703 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.014
local terms energy: -72.473912
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -198.302244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.302244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.302244 (E_RNA)
where:
Base-Base interactions energy: -125.043
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.033
local terms energy: -73.225391
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -196.610184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.610184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.610184 (E_RNA)
where:
Base-Base interactions energy: -128.905
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.038
local terms energy: -67.667160
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -100.087368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.087368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.087368 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.011
local terms energy: -56.914705
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -162.289033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.289033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.289033 (E_RNA)
where:
Base-Base interactions energy: -98.149
where: short stacking energy: -58.099
Base-Backbone interact. energy: 0.608
local terms energy: -64.748702
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -80.451749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.451749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.451749 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.220
local terms energy: -45.093400
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -79.331878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331878 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.203
local terms energy: -43.267371
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -72.897296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.897296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.897296 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -26.735
Base-Backbone interact. energy: -1.299
local terms energy: -40.186297
where:
bonds (distance) C4'-P energy: -5.800
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -221.563189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.563189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.563189 (E_RNA)
where:
Base-Base interactions energy: -152.927
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.412
local terms energy: -68.223837
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -191.864711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.864711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.864711 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -55.911
Base-Backbone interact. energy: 0.844
local terms energy: -71.524292
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -229.739621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.739621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.739621 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -70.481
Base-Backbone interact. energy: -0.473
local terms energy: -72.909088
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -184.264197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.264197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264197 (E_RNA)
where:
Base-Base interactions energy: -115.869
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.239
local terms energy: -68.156349
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -13.283
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: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -192.530281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.530281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.530281 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -56.634
Base-Backbone interact. energy: -0.001
local terms energy: -79.556528
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -147.433152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.433152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.433152 (E_RNA)
where:
Base-Base interactions energy: -88.751
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.016
local terms energy: -58.666463
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -14.284
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -95.637870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.637870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.637870 (E_RNA)
where:
Base-Base interactions energy: -44.747
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.077
local terms energy: -50.813947
where:
bonds (distance) C4'-P energy: -5.375
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -10.719
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: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -83.878447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.878447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.878447 (E_RNA)
where:
Base-Base interactions energy: -29.682
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.258
local terms energy: -53.937874
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -9.493
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: 75
Temperature: 1.300000
Total energy: -85.435036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.435036 (E_RNA)
where:
Base-Base interactions energy: -38.818
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.217
local terms energy: -46.400334
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -7.978
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: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -84.244943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.244943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.244943 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.211
local terms energy: -46.811763
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -3.555
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -219.324838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.324838 (E_RNA)
where:
Base-Base interactions energy: -137.892
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.001
local terms energy: -81.431893
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -190.625294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.625294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.625294 (E_RNA)
where:
Base-Base interactions energy: -117.798
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.078
local terms energy: -72.749682
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -222.165504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.165504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.165504 (E_RNA)
where:
Base-Base interactions energy: -149.114
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.492
local terms energy: -72.558542
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -187.351653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.351653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.351653 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.064
local terms energy: -67.448685
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -189.114945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.114945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.114945 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -59.439
Base-Backbone interact. energy: -1.041
local terms energy: -66.642130
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -166.578027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.578027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.578027 (E_RNA)
where:
Base-Base interactions energy: -103.714
where: short stacking energy: -51.691
Base-Backbone interact. energy: 1.878
local terms energy: -64.741871
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -95.681875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.681875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.681875 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.020
local terms energy: -56.638187
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -81.857497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857497 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.086
local terms energy: -49.160938
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -8.881
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: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.693250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.693250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.693250 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.109
local terms energy: -50.113974
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -91.692916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692916 (E_RNA)
where:
Base-Base interactions energy: -48.924
where: short stacking energy: -28.672
Base-Backbone interact. energy: 2.307
local terms energy: -45.075416
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -8.621
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.346
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: 77
Temperature: 0.900000
Total energy: -214.428557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.428557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.428557 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -70.889
Base-Backbone interact. energy: -0.006
local terms energy: -76.734468
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -228.754674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.754674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.754674 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.415
local terms energy: -77.706377
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -177.044173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.044173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044173 (E_RNA)
where:
Base-Base interactions energy: -107.936
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.020
local terms energy: -69.087828
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.421
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: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -188.696800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.696800 (E_RNA)
where:
Base-Base interactions energy: -122.806
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.279
local terms energy: -65.611659
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -189.972349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.972349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.972349 (E_RNA)
where:
Base-Base interactions energy: -117.903
where: short stacking energy: -59.652
Base-Backbone interact. energy: 0.034
local terms energy: -72.103137
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -164.429153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.429153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.429153 (E_RNA)
where:
Base-Base interactions energy: -104.006
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.000
local terms energy: -60.422926
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -89.943833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.943833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.943833 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.140
local terms energy: -50.964596
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -3.731
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: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -86.125900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125900 (E_RNA)
where:
Base-Base interactions energy: -32.646
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.381
local terms energy: -53.099030
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -82.040345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040345 (E_RNA)
where:
Base-Base interactions energy: -25.985
where: short stacking energy: -25.985
Base-Backbone interact. energy: -0.041
local terms energy: -56.014091
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -84.079909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.079909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.079909 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -30.538
Base-Backbone interact. energy: 0.647
local terms energy: -46.243189
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: 1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -228.544719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.544719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.544719 (E_RNA)
where:
Base-Base interactions energy: -154.349
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.383
local terms energy: -73.813196
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -217.296379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.296379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296379 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -64.498
Base-Backbone interact. energy: -1.182
local terms energy: -78.942321
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -189.647096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.647096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.647096 (E_RNA)
where:
Base-Base interactions energy: -121.019
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.713
local terms energy: -67.915019
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -13.100
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: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -183.523695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523695 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.038
local terms energy: -68.561131
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -172.258514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.258514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.258514 (E_RNA)
where:
Base-Base interactions energy: -105.294
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.013
local terms energy: -66.951395
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -13.310
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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -155.472180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.472180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.472180 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -45.286
Base-Backbone interact. energy: 0.829
local terms energy: -63.792042
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -95.462998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462998 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.002
local terms energy: -61.983540
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -81.929612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.929612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.929612 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.069
local terms energy: -47.998960
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -81.509854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.509854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.509854 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -29.252
Base-Backbone interact. energy: 1.865
local terms energy: -54.122827
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -79.706835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706835 (E_RNA)
where:
Base-Base interactions energy: -26.278
where: short stacking energy: -23.569
Base-Backbone interact. energy: -0.144
local terms energy: -53.285181
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -228.608043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.608043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.608043 (E_RNA)
where:
Base-Base interactions energy: -150.550
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.824
local terms energy: -77.234042
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -218.062454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.062454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.062454 (E_RNA)
where:
Base-Base interactions energy: -152.864
where: short stacking energy: -61.413
Base-Backbone interact. energy: 0.115
local terms energy: -65.313735
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -197.394559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.394559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.394559 (E_RNA)
where:
Base-Base interactions energy: -121.838
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.003
local terms energy: -75.553185
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -188.765920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.765920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.765920 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.995
local terms energy: -74.234938
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -177.377902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377902 (E_RNA)
where:
Base-Base interactions energy: -107.642
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.027
local terms energy: -69.708603
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -159.982052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.982052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.982052 (E_RNA)
where:
Base-Base interactions energy: -96.305
where: short stacking energy: -51.864
Base-Backbone interact. energy: -0.079
local terms energy: -63.597946
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -88.247945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247945 (E_RNA)
where:
Base-Base interactions energy: -28.623
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.331
local terms energy: -59.294424
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -83.701012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701012 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -34.877
Base-Backbone interact. energy: -0.179
local terms energy: -47.324590
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -7.694
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: 79
Temperature: 1.300000
Total energy: -82.296638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.296638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.296638 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.331
local terms energy: -44.716999
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -83.043869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.043869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.043869 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.024
local terms energy: -48.725538
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.140
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: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -227.206537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.206537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.206537 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.351
local terms energy: -73.899148
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -19.833
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -229.175427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.175427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.175427 (E_RNA)
where:
Base-Base interactions energy: -156.939
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.395
local terms energy: -71.841527
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -18.075
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: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -199.456584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.456584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.456584 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.581
local terms energy: -64.780881
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -7.030
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: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -193.660771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.660771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.660771 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.017
local terms energy: -67.768334
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -181.661071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.661071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.661071 (E_RNA)
where:
Base-Base interactions energy: -111.453
where: short stacking energy: -50.056
Base-Backbone interact. energy: -1.709
local terms energy: -68.499329
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -14.766
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: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -166.451903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.451903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.451903 (E_RNA)
where:
Base-Base interactions energy: -101.688
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.181
local terms energy: -64.582729
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -10.460
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: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -84.208311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.208311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.208311 (E_RNA)
where:
Base-Base interactions energy: -42.480
where: short stacking energy: -25.332
Base-Backbone interact. energy: 0.234
local terms energy: -41.962447
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -82.552426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.552426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.552426 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.302
local terms energy: -51.865479
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.966996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.966996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.966996 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -14.732
Base-Backbone interact. energy: 0.007
local terms energy: -52.613826
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.279
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: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -79.011206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.011206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.011206 (E_RNA)
where:
Base-Base interactions energy: -29.268
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.101
local terms energy: -49.641821
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -219.003552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.003552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.003552 (E_RNA)
where:
Base-Base interactions energy: -140.324
where: short stacking energy: -63.485
Base-Backbone interact. energy: -1.007
local terms energy: -77.672772
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -227.820453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.820453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.820453 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.197
local terms energy: -72.438507
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -195.683481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.683481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683481 (E_RNA)
where:
Base-Base interactions energy: -124.476
where: short stacking energy: -66.048
Base-Backbone interact. energy: 1.078
local terms energy: -72.285046
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -8.329
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: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -191.444983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.444983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.444983 (E_RNA)
where:
Base-Base interactions energy: -116.264
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.145
local terms energy: -75.036027
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -198.845188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.845188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.845188 (E_RNA)
where:
Base-Base interactions energy: -129.589
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.057
local terms energy: -69.199206
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -155.900001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.900001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.900001 (E_RNA)
where:
Base-Base interactions energy: -95.144
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.167
local terms energy: -60.589283
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -88.282645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282645 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -19.131
Base-Backbone interact. energy: -1.410
local terms energy: -50.903757
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -92.043398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043398 (E_RNA)
where:
Base-Base interactions energy: -56.399
where: short stacking energy: -26.478
Base-Backbone interact. energy: 0.113
local terms energy: -35.756789
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -0.997
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: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -90.877351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877351 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -23.264
Base-Backbone interact. energy: 0.604
local terms energy: -45.558675
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -75.340110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.340110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.340110 (E_RNA)
where:
Base-Base interactions energy: -31.348
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.163
local terms energy: -43.829348
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -233.551403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.551403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.551403 (E_RNA)
where:
Base-Base interactions energy: -152.450
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.947
local terms energy: -80.154741
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -212.348202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.348202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.348202 (E_RNA)
where:
Base-Base interactions energy: -143.463
where: short stacking energy: -66.372
Base-Backbone interact. energy: 0.348
local terms energy: -69.233190
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -14.773
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -195.135504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.135504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.135504 (E_RNA)
where:
Base-Base interactions energy: -130.746
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.486
local terms energy: -63.902801
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.957
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -186.026632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.026632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.026632 (E_RNA)
where:
Base-Base interactions energy: -113.216
where: short stacking energy: -46.412
Base-Backbone interact. energy: -0.207
local terms energy: -72.603959
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -169.912618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.912618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.912618 (E_RNA)
where:
Base-Base interactions energy: -108.451
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.005
local terms energy: -61.456175
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -176.281853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.281853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.281853 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.065
local terms energy: -56.924804
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -4.970
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.805
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -87.496124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496124 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -29.174
Base-Backbone interact. energy: -0.208
local terms energy: -49.200629
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -2.123
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -91.304726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.304726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.304726 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -38.076
Base-Backbone interact. energy: -1.090
local terms energy: -52.138980
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -87.222490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.222490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.222490 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -21.950
Base-Backbone interact. energy: -0.164
local terms energy: -43.586266
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: 0.976
tors. eta vs tors. theta energy: -3.483
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: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -80.892764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.892764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.892764 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.511
local terms energy: -48.344637
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: 1.171
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: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -228.296909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.296909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.296909 (E_RNA)
where:
Base-Base interactions energy: -153.455
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.348
local terms energy: -74.494112
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -201.763764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.763764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.763764 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.875
local terms energy: -72.563723
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -199.867678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867678 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.119
local terms energy: -66.623565
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -179.203021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203021 (E_RNA)
where:
Base-Base interactions energy: -114.359
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.568
local terms energy: -64.276329
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -174.857463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.857463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.857463 (E_RNA)
where:
Base-Base interactions energy: -105.587
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.583
local terms energy: -68.688007
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -171.483982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483982 (E_RNA)
where:
Base-Base interactions energy: -109.370
where: short stacking energy: -54.000
Base-Backbone interact. energy: -0.008
local terms energy: -62.105290
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -145.838749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.838749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.838749 (E_RNA)
where:
Base-Base interactions energy: -89.343
where: short stacking energy: -42.987
Base-Backbone interact. energy: -0.109
local terms energy: -56.386234
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -86.236457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.236457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.236457 (E_RNA)
where:
Base-Base interactions energy: -41.944
where: short stacking energy: -30.252
Base-Backbone interact. energy: 0.024
local terms energy: -44.316304
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -86.602534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.602534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.602534 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -25.233
Base-Backbone interact. energy: -0.015
local terms energy: -54.059111
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -85.467565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.467565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.467565 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -29.552
Base-Backbone interact. energy: -0.541
local terms energy: -49.191990
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -226.620813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.620813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.620813 (E_RNA)
where:
Base-Base interactions energy: -149.724
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.363
local terms energy: -76.533129
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -205.938055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.938055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.938055 (E_RNA)
where:
Base-Base interactions energy: -132.303
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.563
local terms energy: -73.072817
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -18.225
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: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -180.577008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.577008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.577008 (E_RNA)
where:
Base-Base interactions energy: -112.791
where: short stacking energy: -61.340
Base-Backbone interact. energy: -0.070
local terms energy: -67.716376
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -6.572
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: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -207.878667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.878667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.878667 (E_RNA)
where:
Base-Base interactions energy: -136.074
where: short stacking energy: -65.165
Base-Backbone interact. energy: 0.741
local terms energy: -72.546358
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -8.916
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: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -183.278519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.278519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.278519 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.767
local terms energy: -72.364780
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -8.600
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: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -180.934610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.934610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.934610 (E_RNA)
where:
Base-Base interactions energy: -107.198
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.316
local terms energy: -73.420313
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -19.969
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -152.101778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.101778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.101778 (E_RNA)
where:
Base-Base interactions energy: -98.771
where: short stacking energy: -42.463
Base-Backbone interact. energy: 1.074
local terms energy: -54.404269
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -90.235371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.235371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.235371 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -31.762
Base-Backbone interact. energy: -0.056
local terms energy: -53.867869
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.260715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260715 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.134
local terms energy: -52.470024
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -74.612163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.612163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.612163 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.281
local terms energy: -45.178900
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -8.879
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -222.433265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.433265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.433265 (E_RNA)
where:
Base-Base interactions energy: -150.757
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.262
local terms energy: -71.415021
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -202.191384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.191384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.191384 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.129
local terms energy: -74.018145
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -18.338
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: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -197.308541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.308541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.308541 (E_RNA)
where:
Base-Base interactions energy: -117.009
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.047
local terms energy: -80.252826
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -206.262042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.262042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.262042 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.014
local terms energy: -63.126530
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -17.028
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: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -186.272034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.272034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.272034 (E_RNA)
where:
Base-Base interactions energy: -116.070
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.292
local terms energy: -69.910388
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -14.310
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: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -150.582282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.582282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.582282 (E_RNA)
where:
Base-Base interactions energy: -93.059
where: short stacking energy: -44.423
Base-Backbone interact. energy: -0.243
local terms energy: -57.279656
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -177.663852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.663852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.663852 (E_RNA)
where:
Base-Base interactions energy: -112.259
where: short stacking energy: -53.582
Base-Backbone interact. energy: 0.414
local terms energy: -65.819069
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -87.679206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.679206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.679206 (E_RNA)
where:
Base-Base interactions energy: -37.072
where: short stacking energy: -33.495
Base-Backbone interact. energy: 1.175
local terms energy: -51.783034
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -5.669
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.566376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.566376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.566376 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.076
local terms energy: -51.911537
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -76.997254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.997254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.997254 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -28.206
Base-Backbone interact. energy: 0.223
local terms energy: -49.014785
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -225.226242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.226242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.226242 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.509
local terms energy: -71.844861
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -209.212405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.212405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.212405 (E_RNA)
where:
Base-Base interactions energy: -137.691
where: short stacking energy: -65.214
Base-Backbone interact. energy: -0.654
local terms energy: -70.866680
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -214.921007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.921007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.921007 (E_RNA)
where:
Base-Base interactions energy: -139.103
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.157
local terms energy: -75.660685
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -175.814946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.814946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.814946 (E_RNA)
where:
Base-Base interactions energy: -106.919
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.051
local terms energy: -68.844544
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -182.508054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.508054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.508054 (E_RNA)
where:
Base-Base interactions energy: -110.999
where: short stacking energy: -58.132
Base-Backbone interact. energy: 0.345
local terms energy: -71.854002
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -155.586833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.586833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.586833 (E_RNA)
where:
Base-Base interactions energy: -103.061
where: short stacking energy: -39.613
Base-Backbone interact. energy: -1.233
local terms energy: -51.292121
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -165.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.043122 (E_RNA)
where:
Base-Base interactions energy: -92.522
where: short stacking energy: -50.685
Base-Backbone interact. energy: -0.128
local terms energy: -72.393378
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -89.781391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.781391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.781391 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -36.406
Base-Backbone interact. energy: -0.784
local terms energy: -49.321445
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -77.974038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.974038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.974038 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -37.159
Base-Backbone interact. energy: -1.257
local terms energy: -39.558497
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -77.700518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.700518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.700518 (E_RNA)
where:
Base-Base interactions energy: -26.494
where: short stacking energy: -24.733
Base-Backbone interact. energy: -0.933
local terms energy: -50.273075
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -232.175688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.175688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.175688 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -72.612
Base-Backbone interact. energy: -0.706
local terms energy: -80.102590
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -209.124024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.124024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124024 (E_RNA)
where:
Base-Base interactions energy: -132.143
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.034
local terms energy: -76.947247
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -198.544119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.544119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.544119 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -62.162
Base-Backbone interact. energy: -0.748
local terms energy: -67.652503
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -190.225523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225523 (E_RNA)
where:
Base-Base interactions energy: -121.902
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.000
local terms energy: -68.323034
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -166.833852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.833852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.833852 (E_RNA)
where:
Base-Base interactions energy: -98.919
where: short stacking energy: -47.649
Base-Backbone interact. energy: -0.057
local terms energy: -67.858088
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.925
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: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -138.087709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.087709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.087709 (E_RNA)
where:
Base-Base interactions energy: -83.881
where: short stacking energy: -34.977
Base-Backbone interact. energy: 0.956
local terms energy: -55.162766
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -147.547775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.547775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.547775 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -36.360
Base-Backbone interact. energy: 1.988
local terms energy: -54.356915
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -4.602
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -88.117494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117494 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.120
local terms energy: -57.410679
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -4.957
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: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.641496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641496 (E_RNA)
where:
Base-Base interactions energy: -26.112
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.033
local terms energy: -56.497068
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -91.791229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791229 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.061
local terms energy: -58.045440
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -232.066222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.066222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.066222 (E_RNA)
where:
Base-Base interactions energy: -154.103
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.454
local terms energy: -77.508789
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -19.512
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: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -221.043496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.043496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.043496 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.001
local terms energy: -70.207122
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -17.783
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: 88
Temperature: 1.000000
Total energy: -199.885621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.885621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.885621 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.302
local terms energy: -72.935785
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -178.593406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593406 (E_RNA)
where:
Base-Base interactions energy: -109.465
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.005
local terms energy: -69.122806
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -12.442
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: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -170.123756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.123756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.123756 (E_RNA)
where:
Base-Base interactions energy: -118.254
where: short stacking energy: -54.148
Base-Backbone interact. energy: 1.336
local terms energy: -53.206061
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -7.794
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.427
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: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -181.381435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.381435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.381435 (E_RNA)
where:
Base-Base interactions energy: -119.757
where: short stacking energy: -45.068
Base-Backbone interact. energy: -0.173
local terms energy: -61.451694
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -3.919
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -147.341711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.341711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.341711 (E_RNA)
where:
Base-Base interactions energy: -88.627
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.418
local terms energy: -58.297237
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.377
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: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -83.109198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.109198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.109198 (E_RNA)
where:
Base-Base interactions energy: -21.467
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.089
local terms energy: -61.552842
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -6.709
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: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -93.253936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.253936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.253936 (E_RNA)
where:
Base-Base interactions energy: -47.573
where: short stacking energy: -36.158
Base-Backbone interact. energy: -0.493
local terms energy: -45.187864
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -87.546572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.546572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.546572 (E_RNA)
where:
Base-Base interactions energy: -40.872
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.112
local terms energy: -46.562029
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -5.634
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: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -231.830210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.830210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.830210 (E_RNA)
where:
Base-Base interactions energy: -150.119
where: short stacking energy: -64.240
Base-Backbone interact. energy: 0.523
local terms energy: -82.234519
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -21.322
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: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -201.824258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.824258 (E_RNA)
where:
Base-Base interactions energy: -129.254
where: short stacking energy: -68.237
Base-Backbone interact. energy: -1.007
local terms energy: -71.562709
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -18.515
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: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -213.862141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.862141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.862141 (E_RNA)
where:
Base-Base interactions energy: -146.112
where: short stacking energy: -75.587
Base-Backbone interact. energy: -1.044
local terms energy: -66.706157
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -188.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.809375 (E_RNA)
where:
Base-Base interactions energy: -126.702
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.103
local terms energy: -62.004853
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -175.653303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.653303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.653303 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.124
local terms energy: -63.720191
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -147.802047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.802047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.802047 (E_RNA)
where:
Base-Base interactions energy: -89.702
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.380
local terms energy: -57.720021
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -8.223
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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -173.542448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.542448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.542448 (E_RNA)
where:
Base-Base interactions energy: -105.655
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.014
local terms energy: -67.873109
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -87.799696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.799696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.799696 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -38.951
Base-Backbone interact. energy: -0.138
local terms energy: -47.711957
where:
bonds (distance) C4'-P energy: -3.594
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -8.167
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: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -87.019284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019284 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.017
local terms energy: -52.809381
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -83.491668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.491668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.491668 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.466
local terms energy: -47.727374
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -206.033243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.033243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.033243 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -66.902
Base-Backbone interact. energy: -0.847
local terms energy: -70.558331
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -16.746
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: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -225.080984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.080984 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.448
local terms energy: -73.073342
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -183.116256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.116256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.116256 (E_RNA)
where:
Base-Base interactions energy: -116.906
where: short stacking energy: -52.782
Base-Backbone interact. energy: -0.624
local terms energy: -65.586566
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -208.958996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.958996 (E_RNA)
where:
Base-Base interactions energy: -133.981
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.056
local terms energy: -74.921739
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -166.540715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.540715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.540715 (E_RNA)
where:
Base-Base interactions energy: -98.102
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.062
local terms energy: -68.376354
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -165.748929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.748929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.748929 (E_RNA)
where:
Base-Base interactions energy: -114.883
where: short stacking energy: -45.876
Base-Backbone interact. energy: -0.736
local terms energy: -50.129585
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -0.683
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: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -168.159757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.159757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.159757 (E_RNA)
where:
Base-Base interactions energy: -109.276
where: short stacking energy: -51.842
Base-Backbone interact. energy: -0.013
local terms energy: -58.871190
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -4.949
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: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -84.060924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.060924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.060924 (E_RNA)
where:
Base-Base interactions energy: -28.672
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.015
local terms energy: -55.373498
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -5.424
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: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -81.148284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.148284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.148284 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.012
local terms energy: -56.366415
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -91.094935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.094935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.094935 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.124
local terms energy: -50.564308
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -208.055448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055448 (E_RNA)
where:
Base-Base interactions energy: -131.594
where: short stacking energy: -64.176
Base-Backbone interact. energy: 0.107
local terms energy: -76.568612
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -189.102797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.102797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.102797 (E_RNA)
where:
Base-Base interactions energy: -123.041
where: short stacking energy: -67.528
Base-Backbone interact. energy: -0.046
local terms energy: -66.015340
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -6.541
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: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -228.871444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871444 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.903
local terms energy: -75.289340
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -19.174
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: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -208.887406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.887406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887406 (E_RNA)
where:
Base-Base interactions energy: -138.797
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.771
local terms energy: -69.319869
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -178.203618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.203618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.203618 (E_RNA)
where:
Base-Base interactions energy: -108.118
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.093
local terms energy: -69.993061
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -151.504677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.504677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.504677 (E_RNA)
where:
Base-Base interactions energy: -87.546
where: short stacking energy: -42.963
Base-Backbone interact. energy: 0.082
local terms energy: -64.040201
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -183.609008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.609008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.609008 (E_RNA)
where:
Base-Base interactions energy: -118.741
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.477
local terms energy: -64.390535
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -87.380774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.380774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.380774 (E_RNA)
where:
Base-Base interactions energy: -30.238
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.241
local terms energy: -56.902043
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -11.156
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: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -83.719111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.719111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.719111 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -33.435
Base-Backbone interact. energy: -1.123
local terms energy: -48.385084
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -10.892
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -75.339121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.339121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.339121 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.358
local terms energy: -46.256045
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -213.140109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140109 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.032
local terms energy: -88.722244
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -24.016
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -202.101818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101818 (E_RNA)
where:
Base-Base interactions energy: -125.218
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.500
local terms energy: -76.383873
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -197.933163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.933163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.933163 (E_RNA)
where:
Base-Base interactions energy: -125.278
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.214
local terms energy: -72.440936
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -222.060081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.060081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.060081 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.379
local terms energy: -75.553862
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -162.146103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.146103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.146103 (E_RNA)
where:
Base-Base interactions energy: -92.731
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.019
local terms energy: -69.396126
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -138.368896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.368896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.368896 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.048
local terms energy: -61.320918
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.584
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: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -146.763631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.763631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.763631 (E_RNA)
where:
Base-Base interactions energy: -91.476
where: short stacking energy: -36.759
Base-Backbone interact. energy: -0.387
local terms energy: -54.900539
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -98.291606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.291606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.291606 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.081
local terms energy: -60.478065
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -97.535258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.535258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.535258 (E_RNA)
where:
Base-Base interactions energy: -57.604
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.293
local terms energy: -39.638890
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: 0.182
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.182761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.182761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.182761 (E_RNA)
where:
Base-Base interactions energy: -30.646
where: short stacking energy: -30.003
Base-Backbone interact. energy: -0.184
local terms energy: -50.352163
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -214.112395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.112395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.112395 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -74.323
Base-Backbone interact. energy: 0.413
local terms energy: -83.495742
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -23.030
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: 93
Temperature: 0.950000
Total energy: -202.316604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.316604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.316604 (E_RNA)
where:
Base-Base interactions energy: -130.731
where: short stacking energy: -51.715
Base-Backbone interact. energy: -0.112
local terms energy: -71.473506
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -207.659313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659313 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.004
local terms energy: -75.059911
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.802
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -216.531831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.531831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531831 (E_RNA)
where:
Base-Base interactions energy: -158.372
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.037
local terms energy: -58.123047
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -154.103341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.103341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.103341 (E_RNA)
where:
Base-Base interactions energy: -87.154
where: short stacking energy: -49.396
Base-Backbone interact. energy: 0.027
local terms energy: -66.975863
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -156.863481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.863481 (E_RNA)
where:
Base-Base interactions energy: -103.112
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.060
local terms energy: -53.691951
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -11.352
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -149.016812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.016812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.016812 (E_RNA)
where:
Base-Base interactions energy: -90.689
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.102
local terms energy: -58.225559
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -88.504156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504156 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -28.725
Base-Backbone interact. energy: -0.623
local terms energy: -57.366991
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.822
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -75.750065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.750065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.750065 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -25.754
Base-Backbone interact. energy: -0.137
local terms energy: -49.753168
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -82.520826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.520826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.520826 (E_RNA)
where:
Base-Base interactions energy: -39.047
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.711
local terms energy: -42.763460
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -216.590742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.590742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.590742 (E_RNA)
where:
Base-Base interactions energy: -136.596
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.301
local terms energy: -79.693961
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -20.970
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: 94
Temperature: 0.950000
Total energy: -207.003794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.003794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003794 (E_RNA)
where:
Base-Base interactions energy: -128.813
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.004
local terms energy: -78.186866
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -222.274015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.274015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274015 (E_RNA)
where:
Base-Base interactions energy: -155.241
where: short stacking energy: -70.181
Base-Backbone interact. energy: -0.992
local terms energy: -66.041193
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -17.386
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: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -194.590038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.590038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.590038 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.072
local terms energy: -70.956656
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -160.377313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.377313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377313 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -52.141
Base-Backbone interact. energy: -0.402
local terms energy: -62.690895
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -190.244149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244149 (E_RNA)
where:
Base-Base interactions energy: -124.330
where: short stacking energy: -45.237
Base-Backbone interact. energy: -0.831
local terms energy: -65.083360
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.948
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: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -139.603836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.603836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.603836 (E_RNA)
where:
Base-Base interactions energy: -79.375
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.095
local terms energy: -60.133904
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -9.770
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: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -98.545873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.545873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.545873 (E_RNA)
where:
Base-Base interactions energy: -52.964
where: short stacking energy: -27.048
Base-Backbone interact. energy: -0.784
local terms energy: -44.798278
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: 3.293
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: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -89.103740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.103740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.103740 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.436
local terms energy: -38.702128
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -2.282
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -75.107958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107958 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.110
local terms energy: -41.806293
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -4.501
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: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -218.336346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.336346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.336346 (E_RNA)
where:
Base-Base interactions energy: -141.043
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.419
local terms energy: -76.874551
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -20.512
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: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -216.860941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860941 (E_RNA)
where:
Base-Base interactions energy: -143.635
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.382
local terms energy: -72.844035
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -18.394
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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -200.515968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.515968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.515968 (E_RNA)
where:
Base-Base interactions energy: -123.133
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.000
local terms energy: -77.383098
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -198.581500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.581500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.581500 (E_RNA)
where:
Base-Base interactions energy: -123.060
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.001
local terms energy: -75.520503
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -170.994664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.994664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.994664 (E_RNA)
where:
Base-Base interactions energy: -110.138
where: short stacking energy: -48.402
Base-Backbone interact. energy: -0.339
local terms energy: -60.517565
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.715
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -182.025570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.025570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.025570 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.774
local terms energy: -65.320037
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -157.187741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.187741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.187741 (E_RNA)
where:
Base-Base interactions energy: -94.892
where: short stacking energy: -39.824
Base-Backbone interact. energy: -0.372
local terms energy: -61.923797
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -7.035
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: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -94.827252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.827252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.827252 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -43.507
Base-Backbone interact. energy: 0.691
local terms energy: -43.663256
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -83.091319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.091319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.091319 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -32.788
Base-Backbone interact. energy: 1.211
local terms energy: -47.042596
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -4.925
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -77.616503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.616503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.616503 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -12.257
Base-Backbone interact. energy: -0.134
local terms energy: -49.478379
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: 5.609
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: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -233.696315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.696315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.696315 (E_RNA)
where:
Base-Base interactions energy: -156.731
where: short stacking energy: -73.579
Base-Backbone interact. energy: -0.333
local terms energy: -76.631607
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -215.679784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.679784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.679784 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -75.726
Base-Backbone interact. energy: -1.287
local terms energy: -78.024859
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.158
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: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -194.878713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.878713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.878713 (E_RNA)
where:
Base-Base interactions energy: -126.371
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.751
local terms energy: -67.757029
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -187.935324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935324 (E_RNA)
where:
Base-Base interactions energy: -115.135
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.014
local terms energy: -72.787015
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -167.886069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.886069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.886069 (E_RNA)
where:
Base-Base interactions energy: -106.392
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.143
local terms energy: -61.351433
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -14.970
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -154.056559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.056559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.056559 (E_RNA)
where:
Base-Base interactions energy: -92.682
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.112
local terms energy: -61.263070
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -149.066399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.066399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.066399 (E_RNA)
where:
Base-Base interactions energy: -90.440
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.228
local terms energy: -58.399033
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -87.259150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.259150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.259150 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -31.211
Base-Backbone interact. energy: -0.176
local terms energy: -55.872065
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.801
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: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.449792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449792 (E_RNA)
where:
Base-Base interactions energy: -37.600
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.575
local terms energy: -46.274532
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -9.853
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.600191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.600191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.600191 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.323
local terms energy: -48.343354
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -233.143503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.143503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.143503 (E_RNA)
where:
Base-Base interactions energy: -156.642
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.912
local terms energy: -75.589184
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -209.975270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.975270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.975270 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -67.228
Base-Backbone interact. energy: -1.120
local terms energy: -66.687194
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -201.531869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.531869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.531869 (E_RNA)
where:
Base-Base interactions energy: -126.331
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.023
local terms energy: -75.177336
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.757
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -209.571198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571198 (E_RNA)
where:
Base-Base interactions energy: -147.089
where: short stacking energy: -69.263
Base-Backbone interact. energy: 0.618
local terms energy: -63.100993
where:
bonds (distance) C4'-P energy: -9.355
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -181.782637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.782637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.782637 (E_RNA)
where:
Base-Base interactions energy: -114.583
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.050
local terms energy: -67.150048
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -167.565482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.565482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.565482 (E_RNA)
where:
Base-Base interactions energy: -99.266
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.003
local terms energy: -68.296184
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -143.705998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.705998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.705998 (E_RNA)
where:
Base-Base interactions energy: -91.365
where: short stacking energy: -39.796
Base-Backbone interact. energy: -1.014
local terms energy: -51.326838
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -88.715894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715894 (E_RNA)
where:
Base-Base interactions energy: -31.205
where: short stacking energy: -31.205
Base-Backbone interact. energy: -0.377
local terms energy: -57.132986
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.052689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.052689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.052689 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.100
local terms energy: -52.217163
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -3.938
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: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.526270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.526270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.526270 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.076
local terms energy: -50.006128
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -10.344
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: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -214.627111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.627111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.627111 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -69.103
Base-Backbone interact. energy: -0.483
local terms energy: -77.740030
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -227.890015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.890015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.890015 (E_RNA)
where:
Base-Base interactions energy: -153.875
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.154
local terms energy: -73.860755
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -214.467879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.467879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.467879 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.049
local terms energy: -69.439431
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -8.571
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: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -184.980603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.980603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.980603 (E_RNA)
where:
Base-Base interactions energy: -115.964
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.103
local terms energy: -68.913836
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.555
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -172.179684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.179684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.179684 (E_RNA)
where:
Base-Base interactions energy: -104.324
where: short stacking energy: -43.244
Base-Backbone interact. energy: -0.115
local terms energy: -67.741118
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -12.454
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: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -173.185694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185694 (E_RNA)
where:
Base-Base interactions energy: -105.598
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.130
local terms energy: -67.457566
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -158.007752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.007752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.007752 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.019
local terms energy: -56.627763
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -92.398037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.398037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.398037 (E_RNA)
where:
Base-Base interactions energy: -32.874
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.010
local terms energy: -59.514547
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -9.378
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: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -96.417069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.417069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.417069 (E_RNA)
where:
Base-Base interactions energy: -46.109
where: short stacking energy: -21.283
Base-Backbone interact. energy: -0.095
local terms energy: -50.213448
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: 0.297
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: 98
Temperature: 1.350000
Total energy: -86.905765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905765 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -24.727
Base-Backbone interact. energy: -0.174
local terms energy: -53.468035
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -223.125827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125827 (E_RNA)
where:
Base-Base interactions energy: -137.933
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.004
local terms energy: -85.188941
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -22.494
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: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -220.183691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.183691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.183691 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.028
local terms energy: -72.139470
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -224.956711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.956711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.956711 (E_RNA)
where:
Base-Base interactions energy: -158.271
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.308
local terms energy: -66.378316
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -193.266879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266879 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.189
local terms energy: -60.159584
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -172.977009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.977009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.977009 (E_RNA)
where:
Base-Base interactions energy: -105.372
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.012
local terms energy: -67.593154
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -148.814660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.814660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.814660 (E_RNA)
where:
Base-Base interactions energy: -96.724
where: short stacking energy: -46.830
Base-Backbone interact. energy: -1.408
local terms energy: -50.682796
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -166.790600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.790600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.790600 (E_RNA)
where:
Base-Base interactions energy: -107.012
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.260
local terms energy: -59.518535
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -81.318671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.318671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.318671 (E_RNA)
where:
Base-Base interactions energy: -30.076
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.454
local terms energy: -50.788700
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -92.251854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.251854 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -37.982
Base-Backbone interact. energy: -0.052
local terms energy: -54.217540
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -75.249683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.249683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.249683 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -11.810
Base-Backbone interact. energy: -1.780
local terms energy: -42.001464
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: 3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -225.132505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.132505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.132505 (E_RNA)
where:
Base-Base interactions energy: -155.433
where: short stacking energy: -62.125
Base-Backbone interact. energy: -0.197
local terms energy: -69.502623
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -220.892763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.892763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892763 (E_RNA)
where:
Base-Base interactions energy: -146.762
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.003
local terms energy: -74.127816
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -202.960532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.960532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.960532 (E_RNA)
where:
Base-Base interactions energy: -132.610
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.014
local terms energy: -70.336974
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.122
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -212.138165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138165 (E_RNA)
where:
Base-Base interactions energy: -142.577
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.227
local terms energy: -69.334779
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -16.257
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: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -192.817077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.817077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.817077 (E_RNA)
where:
Base-Base interactions energy: -117.594
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.075
local terms energy: -75.147181
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -167.006420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.006420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.006420 (E_RNA)
where:
Base-Base interactions energy: -96.256
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.045
local terms energy: -70.704554
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -168.281293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.281293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.281293 (E_RNA)
where:
Base-Base interactions energy: -107.029
where: short stacking energy: -44.168
Base-Backbone interact. energy: -0.087
local terms energy: -61.165099
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -87.990088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.990088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.990088 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.028
local terms energy: -53.209901
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -92.768909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.768909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.768909 (E_RNA)
where:
Base-Base interactions energy: -40.476
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.998
local terms energy: -51.294394
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -83.116683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116683 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -28.557
Base-Backbone interact. energy: -0.503
local terms energy: -43.384237
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.621222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.621222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621222 (E_RNA)
where:
Base-Base interactions energy: -145.051
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.084
local terms energy: -73.486265
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -13.358
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -222.250969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.250969 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.605
local terms energy: -75.149835
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -188.419094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.419094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.419094 (E_RNA)
where:
Base-Base interactions energy: -116.495
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.021
local terms energy: -71.903207
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.564
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: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -220.321840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.321840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.321840 (E_RNA)
where:
Base-Base interactions energy: -146.969
where: short stacking energy: -64.687
Base-Backbone interact. energy: -0.372
local terms energy: -72.980018
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -17.531
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: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -155.273105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.273105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.273105 (E_RNA)
where:
Base-Base interactions energy: -96.289
where: short stacking energy: -46.501
Base-Backbone interact. energy: 2.333
local terms energy: -61.317287
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -172.446451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.446451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.446451 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.395
local terms energy: -56.928775
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -9.681
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -172.305326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305326 (E_RNA)
where:
Base-Base interactions energy: -108.659
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.008
local terms energy: -63.637863
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -79.867238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.867238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.867238 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.446
local terms energy: -44.707839
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -72.399891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.399891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.399891 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -30.296
Base-Backbone interact. energy: -0.153
local terms energy: -41.951373
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -81.163163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.163163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.163163 (E_RNA)
where:
Base-Base interactions energy: -28.036
where: short stacking energy: -28.036
Base-Backbone interact. energy: -0.014
local terms energy: -53.113049
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.292
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: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -227.509053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.509053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.509053 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.576
local terms energy: -73.486488
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -220.013742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.013742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.013742 (E_RNA)
where:
Base-Base interactions energy: -144.443
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.533
local terms energy: -75.038317
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -219.697306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.697306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.697306 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.351
local terms energy: -65.686273
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -187.350554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.350554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.350554 (E_RNA)
where:
Base-Base interactions energy: -118.998
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.120
local terms energy: -68.232347
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -15.622
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -157.874711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.874711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.874711 (E_RNA)
where:
Base-Base interactions energy: -97.751
where: short stacking energy: -45.232
Base-Backbone interact. energy: -1.556
local terms energy: -58.568265
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -155.961510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.961510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.961510 (E_RNA)
where:
Base-Base interactions energy: -104.394
where: short stacking energy: -37.865
Base-Backbone interact. energy: -0.216
local terms energy: -51.351297
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -8.972
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -157.615762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.615762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.615762 (E_RNA)
where:
Base-Base interactions energy: -87.552
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.095
local terms energy: -69.968510
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -85.912484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.912484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.912484 (E_RNA)
where:
Base-Base interactions energy: -34.431
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.963
local terms energy: -50.518726
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -87.739886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739886 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -38.155
Base-Backbone interact. energy: -0.425
local terms energy: -43.133882
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -71.824192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.824192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.824192 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -19.634
Base-Backbone interact. energy: -0.236
local terms energy: -43.088617
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -1.688
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -223.391632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.391632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391632 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.316
local terms energy: -81.412031
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -20.998
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: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -224.773428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.773428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.773428 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.532
local terms energy: -73.636817
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -10.774
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: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -219.186219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186219 (E_RNA)
where:
Base-Base interactions energy: -152.826
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.097
local terms energy: -66.263224
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -200.533202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.533202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.533202 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.766
local terms energy: -65.251584
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -15.943
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: 103
Temperature: 1.100000
Total energy: -195.921637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.921637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.921637 (E_RNA)
where:
Base-Base interactions energy: -125.261
where: short stacking energy: -66.005
Base-Backbone interact. energy: -0.000
local terms energy: -70.659695
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -157.324466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.324466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.324466 (E_RNA)
where:
Base-Base interactions energy: -100.685
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.009
local terms energy: -56.631168
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -151.983842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.983842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.983842 (E_RNA)
where:
Base-Base interactions energy: -92.276
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.122
local terms energy: -59.585713
where:
bonds (distance) C4'-P energy: -5.801
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -97.034570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.034570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.034570 (E_RNA)
where:
Base-Base interactions energy: -42.776
where: short stacking energy: -42.776
Base-Backbone interact. energy: -0.134
local terms energy: -54.124906
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -8.310
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -89.489181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489181 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -38.984
Base-Backbone interact. energy: -0.030
local terms energy: -50.475332
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -7.967
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: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -73.161031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.161031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.161031 (E_RNA)
where:
Base-Base interactions energy: -25.272
where: short stacking energy: -16.426
Base-Backbone interact. energy: -0.309
local terms energy: -47.580559
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -5.591
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: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -225.546468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.546468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.546468 (E_RNA)
where:
Base-Base interactions energy: -148.361
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.377
local terms energy: -76.807899
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -229.705850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.705850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.705850 (E_RNA)
where:
Base-Base interactions energy: -149.496
where: short stacking energy: -68.881
Base-Backbone interact. energy: -0.395
local terms energy: -79.814482
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -21.931
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: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -212.565618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.565618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.565618 (E_RNA)
where:
Base-Base interactions energy: -143.120
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.383
local terms energy: -69.062436
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -177.285038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.285038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.285038 (E_RNA)
where:
Base-Base interactions energy: -112.770
where: short stacking energy: -52.176
Base-Backbone interact. energy: -0.161
local terms energy: -64.354257
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -173.651412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.651412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.651412 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -56.571
Base-Backbone interact. energy: 0.531
local terms energy: -63.219341
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -182.264256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.264256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.264256 (E_RNA)
where:
Base-Base interactions energy: -110.983
where: short stacking energy: -50.977
Base-Backbone interact. energy: -0.165
local terms energy: -71.115686
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -147.681522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.681522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.681522 (E_RNA)
where:
Base-Base interactions energy: -90.685
where: short stacking energy: -50.972
Base-Backbone interact. energy: -1.070
local terms energy: -55.927282
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -1.790
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -87.121300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121300 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -27.581
Base-Backbone interact. energy: -0.988
local terms energy: -54.791066
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -8.614
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: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -79.344098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.344098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.344098 (E_RNA)
where:
Base-Base interactions energy: -28.178
where: short stacking energy: -28.178
Base-Backbone interact. energy: 0.252
local terms energy: -51.417204
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -3.731
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: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -90.413499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.413499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.413499 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -37.842
Base-Backbone interact. energy: -0.454
local terms energy: -52.116766
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -225.988490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.988490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.988490 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -72.717
Base-Backbone interact. energy: -0.002
local terms energy: -80.585073
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -228.653685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.653685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.653685 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -68.526
Base-Backbone interact. energy: 0.713
local terms energy: -74.338016
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -218.244602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.244602 (E_RNA)
where:
Base-Base interactions energy: -145.263
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.333
local terms energy: -72.647864
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.274
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -184.127042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.127042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.127042 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -59.300
Base-Backbone interact. energy: 0.104
local terms energy: -64.470896
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -166.649301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.649301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.649301 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -53.402
Base-Backbone interact. energy: -0.185
local terms energy: -57.948322
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -189.242345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.242345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.242345 (E_RNA)
where:
Base-Base interactions energy: -123.378
where: short stacking energy: -64.139
Base-Backbone interact. energy: 1.969
local terms energy: -67.834029
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -18.211
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -155.031704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.031704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.031704 (E_RNA)
where:
Base-Base interactions energy: -89.594
where: short stacking energy: -48.706
Base-Backbone interact. energy: 0.418
local terms energy: -65.855604
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -13.129
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: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -95.208459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.208459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.208459 (E_RNA)
where:
Base-Base interactions energy: -44.545
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.002
local terms energy: -50.662245
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -84.238132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.238132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.238132 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.117
local terms energy: -48.291659
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -7.072
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: 105
Temperature: 1.350000
Total energy: -83.669860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669860 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.042
local terms energy: -49.589610
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -213.754469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.754469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.754469 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.001
local terms energy: -81.623459
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.807
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: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -230.352904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.352904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.352904 (E_RNA)
where:
Base-Base interactions energy: -155.566
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.425
local terms energy: -74.362144
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -9.589
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -218.370533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.370533 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.236
local terms energy: -70.417267
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.439
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: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -177.095029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.095029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.095029 (E_RNA)
where:
Base-Base interactions energy: -118.112
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.217
local terms energy: -58.765434
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -188.021326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.021326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.021326 (E_RNA)
where:
Base-Base interactions energy: -119.741
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.694
local terms energy: -67.585684
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -174.005402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.005402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.005402 (E_RNA)
where:
Base-Base interactions energy: -108.224
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.008
local terms energy: -65.773571
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -15.858
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: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -151.136180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.136180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.136180 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.038
local terms energy: -64.200817
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -86.788179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.788179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.788179 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -18.855
Base-Backbone interact. energy: -0.104
local terms energy: -47.766356
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -79.670569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.670569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.670569 (E_RNA)
where:
Base-Base interactions energy: -27.065
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.134
local terms energy: -52.471549
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -7.938
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: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -77.219371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.219371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.219371 (E_RNA)
where:
Base-Base interactions energy: -30.850
where: short stacking energy: -30.850
Base-Backbone interact. energy: 1.088
local terms energy: -47.457327
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -222.653559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.653559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.653559 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -72.428
Base-Backbone interact. energy: -0.000
local terms energy: -75.189624
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -219.252360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.252360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252360 (E_RNA)
where:
Base-Base interactions energy: -144.454
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.799
local terms energy: -73.999716
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -15.479
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: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -226.268321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.268321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.268321 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -65.737
Base-Backbone interact. energy: -1.115
local terms energy: -73.690521
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -201.146120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.146120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.146120 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.801
local terms energy: -73.390635
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -185.436217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.436217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.436217 (E_RNA)
where:
Base-Base interactions energy: -117.023
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.091
local terms energy: -68.321341
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -164.625583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625583 (E_RNA)
where:
Base-Base interactions energy: -111.189
where: short stacking energy: -52.326
Base-Backbone interact. energy: -0.210
local terms energy: -53.227107
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -130.838873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.838873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.838873 (E_RNA)
where:
Base-Base interactions energy: -71.165
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.016
local terms energy: -59.657226
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -111.852012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.852012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.852012 (E_RNA)
where:
Base-Base interactions energy: -58.596
where: short stacking energy: -33.027
Base-Backbone interact. energy: 0.729
local terms energy: -53.984375
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -3.924
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: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -83.393382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.393382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.393382 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.091
local terms energy: -48.847511
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -81.629414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.629414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.629414 (E_RNA)
where:
Base-Base interactions energy: -40.721
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.510
local terms energy: -40.398744
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -226.459589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.459589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.459589 (E_RNA)
where:
Base-Base interactions energy: -149.120
where: short stacking energy: -79.577
Base-Backbone interact. energy: -0.506
local terms energy: -76.833696
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -225.907289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.907289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907289 (E_RNA)
where:
Base-Base interactions energy: -153.851
where: short stacking energy: -65.166
Base-Backbone interact. energy: 0.044
local terms energy: -72.101230
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -191.849429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.849429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.849429 (E_RNA)
where:
Base-Base interactions energy: -120.045
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.034
local terms energy: -71.770107
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -214.978812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.978812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.978812 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -64.204
Base-Backbone interact. energy: 0.060
local terms energy: -71.548955
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -12.858
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: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -178.827030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.827030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.827030 (E_RNA)
where:
Base-Base interactions energy: -112.141
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.171
local terms energy: -66.514573
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -157.830897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.830897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.830897 (E_RNA)
where:
Base-Base interactions energy: -93.031
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.026
local terms energy: -64.774219
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -90.429149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429149 (E_RNA)
where:
Base-Base interactions energy: -31.775
where: short stacking energy: -31.775
Base-Backbone interact. energy: -0.436
local terms energy: -58.218591
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -89.458317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.458317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.458317 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -33.072
Base-Backbone interact. energy: -0.092
local terms energy: -52.765158
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.088834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.088834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.088834 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -18.383
Base-Backbone interact. energy: -0.369
local terms energy: -48.374495
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.732975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732975 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -23.832
Base-Backbone interact. energy: -0.214
local terms energy: -52.087707
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -226.948675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.948675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.948675 (E_RNA)
where:
Base-Base interactions energy: -141.520
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.941
local terms energy: -84.487987
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -10.968
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: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -226.069678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.069678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.069678 (E_RNA)
where:
Base-Base interactions energy: -152.068
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.187
local terms energy: -73.814493
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -187.255006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.255006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.255006 (E_RNA)
where:
Base-Base interactions energy: -120.681
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.627
local terms energy: -65.947298
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -13.725
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: 109
Temperature: 1.050000
Total energy: -181.299040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.299040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.299040 (E_RNA)
where:
Base-Base interactions energy: -113.653
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.640
local terms energy: -67.006690
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.349
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: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -218.927514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.927514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.927514 (E_RNA)
where:
Base-Base interactions energy: -151.617
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.535
local terms energy: -66.775681
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -163.420761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.420761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.420761 (E_RNA)
where:
Base-Base interactions energy: -96.324
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.248
local terms energy: -66.848117
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -94.494718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.494718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.494718 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -33.484
Base-Backbone interact. energy: -0.116
local terms energy: -54.971137
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -8.950
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: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -97.324334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.324334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.324334 (E_RNA)
where:
Base-Base interactions energy: -45.035
where: short stacking energy: -45.035
Base-Backbone interact. energy: -0.048
local terms energy: -52.241161
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -5.199
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: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -83.817916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.817916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.817916 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -29.987
Base-Backbone interact. energy: -0.611
local terms energy: -52.340469
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -6.924
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: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -78.633968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.633968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.633968 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.107
local terms energy: -45.977478
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -223.663947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663947 (E_RNA)
where:
Base-Base interactions energy: -159.491
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.530
local terms energy: -63.642314
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -13.359
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -224.395967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.395967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.395967 (E_RNA)
where:
Base-Base interactions energy: -146.746
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.508
local terms energy: -77.142534
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -181.670029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.670029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.670029 (E_RNA)
where:
Base-Base interactions energy: -120.704
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.496
local terms energy: -60.469672
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -178.661287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661287 (E_RNA)
where:
Base-Base interactions energy: -118.339
where: short stacking energy: -58.736
Base-Backbone interact. energy: -0.453
local terms energy: -59.869470
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -213.422664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.422664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.422664 (E_RNA)
where:
Base-Base interactions energy: -146.731
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.277
local terms energy: -66.414850
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.626
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -171.076878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.076878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.076878 (E_RNA)
where:
Base-Base interactions energy: -107.133
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.023
local terms energy: -63.921056
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -90.800208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.800208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.800208 (E_RNA)
where:
Base-Base interactions energy: -41.909
where: short stacking energy: -20.748
Base-Backbone interact. energy: -0.650
local terms energy: -48.241435
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: 4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -84.312394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.312394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.312394 (E_RNA)
where:
Base-Base interactions energy: -30.415
where: short stacking energy: -24.276
Base-Backbone interact. energy: -0.171
local terms energy: -53.726068
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -82.689444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.689444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.689444 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -24.490
Base-Backbone interact. energy: -0.285
local terms energy: -43.322457
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -9.429
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: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -75.987073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.987073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.987073 (E_RNA)
where:
Base-Base interactions energy: -29.387
where: short stacking energy: -21.966
Base-Backbone interact. energy: 0.114
local terms energy: -46.714180
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -220.938199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.938199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.938199 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.350
local terms energy: -72.872238
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -198.234681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234681 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -63.334
Base-Backbone interact. energy: -1.949
local terms energy: -70.690965
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -213.243124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.243124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.243124 (E_RNA)
where:
Base-Base interactions energy: -142.284
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.272
local terms energy: -70.686509
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -22.393
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -212.336214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336214 (E_RNA)
where:
Base-Base interactions energy: -153.574
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.528
local terms energy: -58.234275
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -0.697
tors. eta vs tors. theta energy: -13.462
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: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -182.484246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.484246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.484246 (E_RNA)
where:
Base-Base interactions energy: -117.342
where: short stacking energy: -48.291
Base-Backbone interact. energy: -0.267
local terms energy: -64.874415
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -165.718202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.718202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.718202 (E_RNA)
where:
Base-Base interactions energy: -94.729
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.035
local terms energy: -70.954377
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -92.669452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669452 (E_RNA)
where:
Base-Base interactions energy: -33.712
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.199
local terms energy: -58.759108
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -101.204590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.204590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.204590 (E_RNA)
where:
Base-Base interactions energy: -53.550
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.059
local terms energy: -47.595785
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -85.765696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765696 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -29.909
Base-Backbone interact. energy: 0.130
local terms energy: -51.265456
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -82.045830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045830 (E_RNA)
where:
Base-Base interactions energy: -34.908
where: short stacking energy: -29.968
Base-Backbone interact. energy: 0.345
local terms energy: -47.482833
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -221.476673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.476673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.476673 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.094
local terms energy: -77.739156
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -200.287417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.287417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.287417 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.933
local terms energy: -69.334736
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -221.517180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.517180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.517180 (E_RNA)
where:
Base-Base interactions energy: -151.978
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.992
local terms energy: -68.547549
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -205.633579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633579 (E_RNA)
where:
Base-Base interactions energy: -131.700
where: short stacking energy: -70.790
Base-Backbone interact. energy: -1.403
local terms energy: -72.530723
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -180.288784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.288784 (E_RNA)
where:
Base-Base interactions energy: -111.441
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.050
local terms energy: -68.797982
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -12.378
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: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -177.116927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.116927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.116927 (E_RNA)
where:
Base-Base interactions energy: -107.074
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.058
local terms energy: -69.984388
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -87.980047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980047 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -25.668
Base-Backbone interact. energy: 1.660
local terms energy: -48.001273
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -110.202832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.202832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.202832 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.210
local terms energy: -65.315941
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -83.363152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363152 (E_RNA)
where:
Base-Base interactions energy: -39.201
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.336
local terms energy: -43.826328
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -80.721131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.721131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.721131 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.031
local terms energy: -46.827969
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -223.102085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.102085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.102085 (E_RNA)
where:
Base-Base interactions energy: -151.054
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.188
local terms energy: -71.860587
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.624
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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -225.849035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849035 (E_RNA)
where:
Base-Base interactions energy: -155.768
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.911
local terms energy: -69.170159
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -14.089
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: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -183.084772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.084772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.084772 (E_RNA)
where:
Base-Base interactions energy: -113.538
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.075
local terms energy: -69.471876
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -206.766489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.766489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.766489 (E_RNA)
where:
Base-Base interactions energy: -131.362
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.031
local terms energy: -75.373944
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -18.769
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -191.918669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.918669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.918669 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.097
local terms energy: -71.304633
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -9.538
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: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -196.523001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.523001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.523001 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.032
local terms energy: -70.811854
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -84.395782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.395782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.395782 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -30.248
Base-Backbone interact. energy: 0.156
local terms energy: -50.527493
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -102.609920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.609920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.609920 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -28.918
Base-Backbone interact. energy: -0.064
local terms energy: -61.022129
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -81.087418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087418 (E_RNA)
where:
Base-Base interactions energy: -40.386
where: short stacking energy: -20.672
Base-Backbone interact. energy: -0.641
local terms energy: -40.060667
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -77.435798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.435798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.435798 (E_RNA)
where:
Base-Base interactions energy: -30.859
where: short stacking energy: -20.277
Base-Backbone interact. energy: -0.005
local terms energy: -46.571376
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -227.567690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.567690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.567690 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.892
local terms energy: -64.832602
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -13.159
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -218.902493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.902493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.902493 (E_RNA)
where:
Base-Base interactions energy: -146.174
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.332
local terms energy: -72.395866
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -17.748
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: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -214.260430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.260430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.260430 (E_RNA)
where:
Base-Base interactions energy: -142.632
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.375
local terms energy: -71.253080
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -16.560
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: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -194.234350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234350 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.070
local terms energy: -74.497847
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.426
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: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -171.681571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.681571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.681571 (E_RNA)
where:
Base-Base interactions energy: -112.840
where: short stacking energy: -43.809
Base-Backbone interact. energy: -0.557
local terms energy: -58.285344
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -152.323761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.323761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.323761 (E_RNA)
where:
Base-Base interactions energy: -92.846
where: short stacking energy: -40.724
Base-Backbone interact. energy: 0.160
local terms energy: -59.637893
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -92.333068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.333068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.333068 (E_RNA)
where:
Base-Base interactions energy: -37.504
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.224
local terms energy: -54.604831
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -12.024
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: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -94.376040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.376040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.376040 (E_RNA)
where:
Base-Base interactions energy: -42.786
where: short stacking energy: -42.786
Base-Backbone interact. energy: -0.157
local terms energy: -51.433148
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -83.793899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793899 (E_RNA)
where:
Base-Base interactions energy: -25.130
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.988
local terms energy: -57.675701
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -75.093380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.093380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.093380 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -23.063
Base-Backbone interact. energy: -0.216
local terms energy: -47.422849
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -234.024059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.024059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.024059 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.159
local terms energy: -73.450249
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -216.297576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.297576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.297576 (E_RNA)
where:
Base-Base interactions energy: -142.198
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.140
local terms energy: -73.959822
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -215.386654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386654 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.342
local terms energy: -72.526454
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -166.997844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.997844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.997844 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.525
local terms energy: -61.045223
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -199.088751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.088751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.088751 (E_RNA)
where:
Base-Base interactions energy: -129.000
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.297
local terms energy: -69.791713
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -13.256
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: 115
Temperature: 1.150000
Total energy: -151.313381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.313381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.313381 (E_RNA)
where:
Base-Base interactions energy: -85.283
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.325
local terms energy: -65.705539
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -89.549117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549117 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -33.820
Base-Backbone interact. energy: -0.414
local terms energy: -56.626585
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -5.993
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: 115
Temperature: 1.250000
Total energy: -92.957113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957113 (E_RNA)
where:
Base-Base interactions energy: -39.595
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.119
local terms energy: -53.242756
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -80.084162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.084162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.084162 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -26.252
Base-Backbone interact. energy: -0.151
local terms energy: -49.729757
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.521955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.521955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.521955 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -30.722
Base-Backbone interact. energy: -0.488
local terms energy: -49.312311
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -236.918199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.918199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.918199 (E_RNA)
where:
Base-Base interactions energy: -162.334
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.306
local terms energy: -74.278260
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.362
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: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -223.003143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.003143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.003143 (E_RNA)
where:
Base-Base interactions energy: -151.284
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.219
local terms energy: -71.500134
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -221.705522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.705522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.705522 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.004
local terms energy: -80.700881
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -177.758695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.758695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.758695 (E_RNA)
where:
Base-Base interactions energy: -114.205
where: short stacking energy: -56.487
Base-Backbone interact. energy: -0.195
local terms energy: -63.358992
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -197.722032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.722032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.722032 (E_RNA)
where:
Base-Base interactions energy: -128.739
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.311
local terms energy: -68.671744
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -163.542835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.542835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.542835 (E_RNA)
where:
Base-Base interactions energy: -95.012
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.175
local terms energy: -68.355658
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -93.012064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012064 (E_RNA)
where:
Base-Base interactions energy: -40.393
where: short stacking energy: -15.109
Base-Backbone interact. energy: -0.251
local terms energy: -52.368218
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.945469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.945469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.945469 (E_RNA)
where:
Base-Base interactions energy: -35.150
where: short stacking energy: -35.150
Base-Backbone interact. energy: -0.094
local terms energy: -53.700702
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -89.462128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462128 (E_RNA)
where:
Base-Base interactions energy: -38.362
where: short stacking energy: -31.215
Base-Backbone interact. energy: 0.614
local terms energy: -51.714563
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -79.047332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047332 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -30.738
Base-Backbone interact. energy: -1.049
local terms energy: -45.704915
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -5.849
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: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -232.978914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.978914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.978914 (E_RNA)
where:
Base-Base interactions energy: -159.294
where: short stacking energy: -69.441
Base-Backbone interact. energy: 0.126
local terms energy: -73.810557
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -18.109
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: 117
Temperature: 0.950000
Total energy: -230.044611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.044611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.044611 (E_RNA)
where:
Base-Base interactions energy: -150.403
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.129
local terms energy: -79.512289
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -228.379172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.379172 (E_RNA)
where:
Base-Base interactions energy: -164.106
where: short stacking energy: -64.011
Base-Backbone interact. energy: 0.370
local terms energy: -64.642896
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -198.607365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.607365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.607365 (E_RNA)
where:
Base-Base interactions energy: -132.039
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.265
local terms energy: -66.303114
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -166.453493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.453493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.453493 (E_RNA)
where:
Base-Base interactions energy: -108.233
where: short stacking energy: -56.803
Base-Backbone interact. energy: -0.565
local terms energy: -57.655363
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -170.132669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.132669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.132669 (E_RNA)
where:
Base-Base interactions energy: -105.594
where: short stacking energy: -52.819
Base-Backbone interact. energy: 0.791
local terms energy: -65.329295
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -12.297
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: 117
Temperature: 1.200000
Total energy: -92.750512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750512 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.144
local terms energy: -52.467051
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.848
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -87.780533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780533 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -30.236
Base-Backbone interact. energy: -0.043
local terms energy: -56.214292
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -80.159440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.159440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.159440 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.009
local terms energy: -50.912683
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -5.507
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: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -86.801588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801588 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.497
local terms energy: -54.009984
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -216.354098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354098 (E_RNA)
where:
Base-Base interactions energy: -135.003
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.084
local terms energy: -81.266935
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -229.212279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.212279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.212279 (E_RNA)
where:
Base-Base interactions energy: -160.063
where: short stacking energy: -67.682
Base-Backbone interact. energy: 0.415
local terms energy: -69.564851
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -212.182186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.182186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.182186 (E_RNA)
where:
Base-Base interactions energy: -144.630
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.111
local terms energy: -67.441791
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -202.999454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999454 (E_RNA)
where:
Base-Base interactions energy: -131.238
where: short stacking energy: -63.752
Base-Backbone interact. energy: -1.042
local terms energy: -70.719175
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -189.491543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.491543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491543 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.603
local terms energy: -67.726261
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -154.961455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.961455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.961455 (E_RNA)
where:
Base-Base interactions energy: -93.186
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.116
local terms energy: -61.659044
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -90.676603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.676603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.676603 (E_RNA)
where:
Base-Base interactions energy: -45.068
where: short stacking energy: -23.359
Base-Backbone interact. energy: -0.959
local terms energy: -44.650308
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -5.496
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: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -79.601265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.601265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.601265 (E_RNA)
where:
Base-Base interactions energy: -34.169
where: short stacking energy: -34.023
Base-Backbone interact. energy: -1.638
local terms energy: -43.794634
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -86.944248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.944248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.944248 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -31.329
Base-Backbone interact. energy: 1.135
local terms energy: -52.963501
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -81.113932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.113932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.113932 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.733
local terms energy: -39.796139
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -4.592
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: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -215.765617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.765617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.765617 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.004
local terms energy: -75.097112
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -226.095925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.095925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.095925 (E_RNA)
where:
Base-Base interactions energy: -155.108
where: short stacking energy: -66.930
Base-Backbone interact. energy: 0.864
local terms energy: -71.851843
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -215.660579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.660579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.660579 (E_RNA)
where:
Base-Base interactions energy: -138.531
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.236
local terms energy: -76.893155
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -199.209568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.209568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.209568 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.096
local terms energy: -73.187333
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -13.759
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -161.753797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.753797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.753797 (E_RNA)
where:
Base-Base interactions energy: -99.624
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.117
local terms energy: -62.012962
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -95.539325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.539325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.539325 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.716
local terms energy: -49.534557
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -164.342999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.342999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.342999 (E_RNA)
where:
Base-Base interactions energy: -107.801
where: short stacking energy: -47.317
Base-Backbone interact. energy: 0.083
local terms energy: -56.625418
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -10.321
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: 119
Temperature: 1.250000
Total energy: -88.174496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.174496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.174496 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -33.386
Base-Backbone interact. energy: -0.099
local terms energy: -53.582616
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -74.917785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.917785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.917785 (E_RNA)
where:
Base-Base interactions energy: -28.000
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.003
local terms energy: -46.914983
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -75.246236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.246236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.246236 (E_RNA)
where:
Base-Base interactions energy: -26.576
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.209
local terms energy: -48.461247
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -230.359304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.359304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.359304 (E_RNA)
where:
Base-Base interactions energy: -160.686
where: short stacking energy: -70.497
Base-Backbone interact. energy: -0.233
local terms energy: -69.440518
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -211.888652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888652 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -72.191
Base-Backbone interact. energy: -0.674
local terms energy: -75.245780
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -19.311
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -216.667459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.667459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.667459 (E_RNA)
where:
Base-Base interactions energy: -139.995
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.269
local terms energy: -76.402716
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -198.818881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.818881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.818881 (E_RNA)
where:
Base-Base interactions energy: -126.162
where: short stacking energy: -66.650
Base-Backbone interact. energy: -1.826
local terms energy: -70.830558
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -179.251125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.251125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.251125 (E_RNA)
where:
Base-Base interactions energy: -105.393
where: short stacking energy: -51.488
Base-Backbone interact. energy: -0.113
local terms energy: -73.745562
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -117.746492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.746492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.746492 (E_RNA)
where:
Base-Base interactions energy: -55.487
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.512
local terms energy: -61.746808
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -155.720999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.720999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.720999 (E_RNA)
where:
Base-Base interactions energy: -89.375
where: short stacking energy: -49.388
Base-Backbone interact. energy: -0.467
local terms energy: -65.879263
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -11.191
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: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -113.778800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.778800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.778800 (E_RNA)
where:
Base-Base interactions energy: -60.247
where: short stacking energy: -42.066
Base-Backbone interact. energy: -0.017
local terms energy: -53.514601
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -6.963
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -95.515719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.515719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.515719 (E_RNA)
where:
Base-Base interactions energy: -37.612
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.084
local terms energy: -57.818982
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -94.413300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413300 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -29.350
Base-Backbone interact. energy: -0.447
local terms energy: -48.777204
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -3.002
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: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -233.888864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.888864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.888864 (E_RNA)
where:
Base-Base interactions energy: -161.753
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.342
local terms energy: -71.793658
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -14.768
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: 121
Temperature: 0.950000
Total energy: -224.606492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606492 (E_RNA)
where:
Base-Base interactions energy: -153.255
where: short stacking energy: -67.482
Base-Backbone interact. energy: 0.639
local terms energy: -71.990184
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -204.729458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.729458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.729458 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.578
local terms energy: -75.120759
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.959
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: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -187.292598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.292598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.292598 (E_RNA)
where:
Base-Base interactions energy: -118.309
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.181
local terms energy: -68.802648
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -178.384235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.384235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384235 (E_RNA)
where:
Base-Base interactions energy: -114.286
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.007
local terms energy: -64.090699
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -16.919
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: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -174.592772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.592772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.592772 (E_RNA)
where:
Base-Base interactions energy: -112.345
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.167
local terms energy: -62.080436
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -14.907
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -105.278300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.278300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.278300 (E_RNA)
where:
Base-Base interactions energy: -48.838
where: short stacking energy: -39.211
Base-Backbone interact. energy: -0.192
local terms energy: -56.248111
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -96.083056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.083056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.083056 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.040
local terms energy: -59.630003
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -112.130167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.130167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.130167 (E_RNA)
where:
Base-Base interactions energy: -53.667
where: short stacking energy: -37.224
Base-Backbone interact. energy: -0.170
local terms energy: -58.293233
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.512
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: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -87.137144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.137144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.137144 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.487
local terms energy: -41.939268
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -10.541
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: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -224.392101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.392101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.392101 (E_RNA)
where:
Base-Base interactions energy: -148.030
where: short stacking energy: -71.149
Base-Backbone interact. energy: 0.691
local terms energy: -77.053121
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -235.590108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.590108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.590108 (E_RNA)
where:
Base-Base interactions energy: -166.883
where: short stacking energy: -64.880
Base-Backbone interact. energy: 0.015
local terms energy: -68.721871
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -216.524795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.524795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.524795 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -75.073
Base-Backbone interact. energy: -0.002
local terms energy: -74.230007
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -185.722472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.722472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.722472 (E_RNA)
where:
Base-Base interactions energy: -115.087
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.092
local terms energy: -70.543486
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -166.328621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.328621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.328621 (E_RNA)
where:
Base-Base interactions energy: -103.984
where: short stacking energy: -46.925
Base-Backbone interact. energy: -0.140
local terms energy: -62.204318
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -173.214067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.214067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.214067 (E_RNA)
where:
Base-Base interactions energy: -103.505
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.007
local terms energy: -69.702325
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -99.163397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.163397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.163397 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -35.548
Base-Backbone interact. energy: 0.382
local terms energy: -53.859561
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.784818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.784818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.784818 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.402
local terms energy: -48.416195
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -98.731380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.731380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.731380 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.048
local terms energy: -54.680354
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.028097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.028097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.028097 (E_RNA)
where:
Base-Base interactions energy: -23.223
where: short stacking energy: -20.517
Base-Backbone interact. energy: -0.098
local terms energy: -49.707303
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -229.436494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.436494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.436494 (E_RNA)
where:
Base-Base interactions energy: -154.350
where: short stacking energy: -74.809
Base-Backbone interact. energy: -0.063
local terms energy: -75.023138
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -232.066807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.066807 (E_RNA)
where:
Base-Base interactions energy: -158.409
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.520
local terms energy: -73.137983
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.059
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: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -202.156408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156408 (E_RNA)
where:
Base-Base interactions energy: -130.751
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.660
local terms energy: -70.745676
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -185.231126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.231126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.231126 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -47.850
Base-Backbone interact. energy: -0.025
local terms energy: -71.146549
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -178.987556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.987556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.987556 (E_RNA)
where:
Base-Base interactions energy: -111.963
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.053
local terms energy: -66.971136
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -12.344
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: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -119.595844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.595844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.595844 (E_RNA)
where:
Base-Base interactions energy: -60.794
where: short stacking energy: -31.060
Base-Backbone interact. energy: -1.048
local terms energy: -57.753393
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.313
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: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -125.823179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.823179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.823179 (E_RNA)
where:
Base-Base interactions energy: -66.841
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.162
local terms energy: -58.819933
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -81.224721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224721 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.252
local terms energy: -45.321994
where:
bonds (distance) C4'-P energy: -0.740
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -12.615
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: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -77.150550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.150550 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.142
local terms energy: -44.900378
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -67.077222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.077222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.077222 (E_RNA)
where:
Base-Base interactions energy: -23.143
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.293
local terms energy: -43.641236
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -234.899477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.899477 (E_RNA)
where:
Base-Base interactions energy: -166.382
where: short stacking energy: -69.494
Base-Backbone interact. energy: 0.621
local terms energy: -69.138034
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -224.026084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.026084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.026084 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.162
local terms energy: -70.748318
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -224.213924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.213924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.213924 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -73.323
Base-Backbone interact. energy: -0.156
local terms energy: -81.681847
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -182.390966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.390966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.390966 (E_RNA)
where:
Base-Base interactions energy: -118.195
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.851
local terms energy: -63.345425
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -169.003917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.003917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.003917 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.315
local terms energy: -59.034518
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -102.752365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752365 (E_RNA)
where:
Base-Base interactions energy: -46.996
where: short stacking energy: -42.079
Base-Backbone interact. energy: 0.019
local terms energy: -55.775563
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -88.729883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729883 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -33.704
Base-Backbone interact. energy: -0.017
local terms energy: -50.502341
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -82.514539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.514539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.514539 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -25.376
Base-Backbone interact. energy: -0.118
local terms energy: -53.515487
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -78.468615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.468615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.468615 (E_RNA)
where:
Base-Base interactions energy: -28.601
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.790
local terms energy: -49.077204
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -8.222
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: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -84.348178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.348178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.348178 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -29.041
Base-Backbone interact. energy: -0.368
local terms energy: -52.925341
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -235.767865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.767865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.767865 (E_RNA)
where:
Base-Base interactions energy: -162.235
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.410
local terms energy: -73.123046
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -227.946869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946869 (E_RNA)
where:
Base-Base interactions energy: -166.703
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.469
local terms energy: -60.774983
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -220.048910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.048910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.048910 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -78.030
Base-Backbone interact. energy: 0.725
local terms energy: -80.319096
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -189.341427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.341427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.341427 (E_RNA)
where:
Base-Base interactions energy: -119.452
where: short stacking energy: -58.631
Base-Backbone interact. energy: -1.365
local terms energy: -68.523934
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -173.345754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.345754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.345754 (E_RNA)
where:
Base-Base interactions energy: -107.500
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.055
local terms energy: -65.791052
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -13.172
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: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -106.713650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713650 (E_RNA)
where:
Base-Base interactions energy: -47.031
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.063
local terms energy: -59.619760
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -96.409882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.409882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.409882 (E_RNA)
where:
Base-Base interactions energy: -47.406
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.135
local terms energy: -48.868684
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -98.317618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.317618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.317618 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -39.381
Base-Backbone interact. energy: -0.456
local terms energy: -54.493170
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.296
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: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -77.764614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764614 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -17.681
Base-Backbone interact. energy: 0.713
local terms energy: -45.970122
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: 2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -69.822536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.822536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.822536 (E_RNA)
where:
Base-Base interactions energy: -43.758
where: short stacking energy: -15.027
Base-Backbone interact. energy: -0.565
local terms energy: -25.498879
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -8.413
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -4.093
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -229.731598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.731598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.731598 (E_RNA)
where:
Base-Base interactions energy: -160.586
where: short stacking energy: -66.476
Base-Backbone interact. energy: 0.127
local terms energy: -69.272401
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -9.313
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -225.936320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.936320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.936320 (E_RNA)
where:
Base-Base interactions energy: -152.068
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.446
local terms energy: -73.421815
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.671
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: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -210.327766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327766 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.000
local terms energy: -72.567777
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -7.071
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: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -181.894066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.894066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.894066 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.712
local terms energy: -60.701080
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -18.073
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -176.865661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.865661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.865661 (E_RNA)
where:
Base-Base interactions energy: -106.703
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.025
local terms energy: -70.137729
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -100.691870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.691870 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -40.368
Base-Backbone interact. energy: 1.310
local terms energy: -61.619424
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -103.266863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.266863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.266863 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.107
local terms energy: -60.303193
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -81.198088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198088 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.458
local terms energy: -49.151121
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -70.216734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.216734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.216734 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.071
local terms energy: -43.411798
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -2.127
tors. eta vs tors. theta energy: 4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -78.836743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836743 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.203
local terms energy: -45.212573
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: 4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -236.001977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.001977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.001977 (E_RNA)
where:
Base-Base interactions energy: -160.035
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.386
local terms energy: -75.580666
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.612
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -215.699272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699272 (E_RNA)
where:
Base-Base interactions energy: -132.984
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.158
local terms energy: -82.557022
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -215.487059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487059 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.290
local terms energy: -69.060287
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.159
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: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -182.116188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.116188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.116188 (E_RNA)
where:
Base-Base interactions energy: -116.160
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.025
local terms energy: -65.931672
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -185.010477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010477 (E_RNA)
where:
Base-Base interactions energy: -113.925
where: short stacking energy: -59.099
Base-Backbone interact. energy: 0.039
local terms energy: -71.124594
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.350
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: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -102.500808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.500808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.500808 (E_RNA)
where:
Base-Base interactions energy: -57.197
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.044
local terms energy: -45.259753
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -7.707
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -90.234794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234794 (E_RNA)
where:
Base-Base interactions energy: -41.241
where: short stacking energy: -27.168
Base-Backbone interact. energy: 3.316
local terms energy: -52.309992
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -90.776694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.776694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.776694 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.290
local terms energy: -47.503338
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -83.065014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065014 (E_RNA)
where:
Base-Base interactions energy: -42.481
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.434
local terms energy: -40.149815
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -76.586497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.586497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.586497 (E_RNA)
where:
Base-Base interactions energy: -23.976
where: short stacking energy: -23.976
Base-Backbone interact. energy: 0.117
local terms energy: -52.727716
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -233.216248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.216248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.216248 (E_RNA)
where:
Base-Base interactions energy: -162.944
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.260
local terms energy: -70.012183
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -217.500140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.500140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.500140 (E_RNA)
where:
Base-Base interactions energy: -144.494
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.045
local terms energy: -72.961539
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -215.054641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054641 (E_RNA)
where:
Base-Base interactions energy: -149.601
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.186
local terms energy: -65.267020
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -16.849
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: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -176.579906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.579906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.579906 (E_RNA)
where:
Base-Base interactions energy: -113.040
where: short stacking energy: -51.786
Base-Backbone interact. energy: -0.053
local terms energy: -63.487474
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -172.681388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.681388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.681388 (E_RNA)
where:
Base-Base interactions energy: -105.526
where: short stacking energy: -51.203
Base-Backbone interact. energy: -1.518
local terms energy: -65.636953
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -106.495705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.495705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.495705 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -41.098
Base-Backbone interact. energy: -0.018
local terms energy: -58.400658
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -93.775490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.775490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.775490 (E_RNA)
where:
Base-Base interactions energy: -45.769
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.139
local terms energy: -47.866983
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -82.357770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.357770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.357770 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -23.338
Base-Backbone interact. energy: 0.302
local terms energy: -51.822105
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.260
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: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -84.820247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.820247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.820247 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.130
local terms energy: -43.223912
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -89.357786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.357786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.357786 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.077
local terms energy: -55.327190
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -9.379
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: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -230.638575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638575 (E_RNA)
where:
Base-Base interactions energy: -160.764
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.345
local terms energy: -69.528821
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.102
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: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -218.033253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033253 (E_RNA)
where:
Base-Base interactions energy: -139.713
where: short stacking energy: -67.859
Base-Backbone interact. energy: -1.306
local terms energy: -77.014588
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -229.287106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.287106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.287106 (E_RNA)
where:
Base-Base interactions energy: -156.831
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.740
local terms energy: -71.715380
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -192.269195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269195 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -66.083
Base-Backbone interact. energy: -0.004
local terms energy: -73.298534
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -153.434424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.434424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.434424 (E_RNA)
where:
Base-Base interactions energy: -85.709
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.047
local terms energy: -67.678609
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -10.346
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -107.462144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.462144 (E_RNA)
where:
Base-Base interactions energy: -49.344
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.141
local terms energy: -57.977339
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -95.054462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054462 (E_RNA)
where:
Base-Base interactions energy: -40.976
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.069
local terms energy: -54.009159
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.549
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: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -95.783845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.783845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.783845 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -28.227
Base-Backbone interact. energy: -0.361
local terms energy: -48.910592
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -79.354545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.354545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.354545 (E_RNA)
where:
Base-Base interactions energy: -28.185
where: short stacking energy: -24.487
Base-Backbone interact. energy: -0.108
local terms energy: -51.062354
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -80.168483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168483 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.536
local terms energy: -49.238682
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -233.076372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.076372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.076372 (E_RNA)
where:
Base-Base interactions energy: -157.541
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.390
local terms energy: -75.144884
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -213.539029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.539029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.539029 (E_RNA)
where:
Base-Base interactions energy: -138.956
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.551
local terms energy: -74.032291
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.368
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: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -215.301015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301015 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.103
local terms energy: -71.922025
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -185.870950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.870950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.870950 (E_RNA)
where:
Base-Base interactions energy: -114.503
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.076
local terms energy: -71.291094
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -192.718085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.718085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.718085 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -61.801
Base-Backbone interact. energy: -0.001
local terms energy: -71.413404
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -21.623
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -102.078809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.078809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.078809 (E_RNA)
where:
Base-Base interactions energy: -46.866
where: short stacking energy: -39.021
Base-Backbone interact. energy: 0.384
local terms energy: -55.596882
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -90.046114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.046114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.046114 (E_RNA)
where:
Base-Base interactions energy: -29.581
where: short stacking energy: -29.406
Base-Backbone interact. energy: -0.220
local terms energy: -60.245505
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -84.251626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.251626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.251626 (E_RNA)
where:
Base-Base interactions energy: -24.898
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.095
local terms energy: -59.258819
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -81.943946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943946 (E_RNA)
where:
Base-Base interactions energy: -24.678
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.219
local terms energy: -57.046253
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -82.989981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.989981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.989981 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.108
local terms energy: -50.447111
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -7.310
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -233.687106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.687106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.687106 (E_RNA)
where:
Base-Base interactions energy: -161.562
where: short stacking energy: -64.865
Base-Backbone interact. energy: -0.566
local terms energy: -71.559708
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -226.227203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.227203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.227203 (E_RNA)
where:
Base-Base interactions energy: -156.161
where: short stacking energy: -76.799
Base-Backbone interact. energy: -0.250
local terms energy: -69.815988
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -203.891154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.891154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.891154 (E_RNA)
where:
Base-Base interactions energy: -129.560
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.012
local terms energy: -74.319491
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.832
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: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -157.095155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.095155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.095155 (E_RNA)
where:
Base-Base interactions energy: -88.819
where: short stacking energy: -50.267
Base-Backbone interact. energy: -0.082
local terms energy: -68.194093
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -195.352295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.352295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.352295 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.001
local terms energy: -75.699434
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -102.443978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.443978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.443978 (E_RNA)
where:
Base-Base interactions energy: -42.873
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.351
local terms energy: -59.219628
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -94.286948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.286948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.286948 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -31.969
Base-Backbone interact. energy: 2.188
local terms energy: -56.869426
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -99.988036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.988036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.988036 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.265
local terms energy: -55.883110
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -78.177245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177245 (E_RNA)
where:
Base-Base interactions energy: -31.815
where: short stacking energy: -22.840
Base-Backbone interact. energy: -0.162
local terms energy: -46.199432
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.324
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -88.922906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.922906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.922906 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.106
local terms energy: -55.731668
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -234.757187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.757187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.757187 (E_RNA)
where:
Base-Base interactions energy: -166.160
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.298
local terms energy: -68.299568
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -218.194406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.194406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.194406 (E_RNA)
where:
Base-Base interactions energy: -143.701
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.181
local terms energy: -74.312112
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -211.119670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.119670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.119670 (E_RNA)
where:
Base-Base interactions energy: -137.364
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.083
local terms energy: -73.672105
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -163.932441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.932441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.932441 (E_RNA)
where:
Base-Base interactions energy: -95.941
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.338
local terms energy: -67.653449
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -191.370931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370931 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.002
local terms energy: -73.066126
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -117.744573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.744573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.744573 (E_RNA)
where:
Base-Base interactions energy: -56.679
where: short stacking energy: -51.462
Base-Backbone interact. energy: -0.111
local terms energy: -60.954886
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -4.184
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: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -107.570790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.570790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.570790 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -47.222
Base-Backbone interact. energy: -0.007
local terms energy: -51.054163
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: -7.897
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: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -104.166098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.166098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.166098 (E_RNA)
where:
Base-Base interactions energy: -55.602
where: short stacking energy: -47.418
Base-Backbone interact. energy: -0.286
local terms energy: -48.278096
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -9.208
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: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -82.343337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.343337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.343337 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -28.811
Base-Backbone interact. energy: -0.035
local terms energy: -49.960311
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -9.776
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -88.554516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554516 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -34.310
Base-Backbone interact. energy: 0.593
local terms energy: -50.586326
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -227.076114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.076114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.076114 (E_RNA)
where:
Base-Base interactions energy: -153.904
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.242
local terms energy: -72.930178
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -227.229750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.229750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.229750 (E_RNA)
where:
Base-Base interactions energy: -150.081
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.203
local terms energy: -76.946258
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -18.493
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: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -217.420486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.420486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.420486 (E_RNA)
where:
Base-Base interactions energy: -138.432
where: short stacking energy: -67.974
Base-Backbone interact. energy: -1.544
local terms energy: -77.445082
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -201.483971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.483971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.483971 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -66.254
Base-Backbone interact. energy: -0.000
local terms energy: -74.396059
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -188.278059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.278059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.278059 (E_RNA)
where:
Base-Base interactions energy: -117.717
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.657
local terms energy: -69.903586
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -92.795532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.795532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.795532 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.103
local terms energy: -56.240439
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -98.354561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354561 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.243
local terms energy: -52.258515
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -4.953
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.346773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346773 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -32.834
Base-Backbone interact. energy: 3.728
local terms energy: -47.501416
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -85.072911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.072911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.072911 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -25.102
Base-Backbone interact. energy: 2.531
local terms energy: -58.815303
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -91.740513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.740513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.740513 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -43.738
Base-Backbone interact. energy: -0.091
local terms energy: -47.911557
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -5.203
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: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -232.552339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.552339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.552339 (E_RNA)
where:
Base-Base interactions energy: -165.588
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.274
local terms energy: -66.690313
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -8.203
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -223.992065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.992065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.992065 (E_RNA)
where:
Base-Base interactions energy: -148.439
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.207
local terms energy: -75.345693
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.252
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: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -189.898984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898984 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.097
local terms energy: -72.158216
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -201.974548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.974548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.974548 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.001
local terms energy: -76.521467
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -171.829562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.829562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.829562 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.307
local terms energy: -60.864988
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -7.156
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -97.849265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.849265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.849265 (E_RNA)
where:
Base-Base interactions energy: -57.052
where: short stacking energy: -36.638
Base-Backbone interact. energy: -0.156
local terms energy: -40.641141
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -0.792
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -97.572334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.572334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.572334 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -35.532
Base-Backbone interact. energy: -0.093
local terms energy: -58.038153
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -91.229637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.229637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.229637 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -37.149
Base-Backbone interact. energy: -0.081
local terms energy: -50.920886
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -78.739988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.739988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.739988 (E_RNA)
where:
Base-Base interactions energy: -30.662
where: short stacking energy: -23.806
Base-Backbone interact. energy: -0.133
local terms energy: -47.944425
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -74.534596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.534596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.534596 (E_RNA)
where:
Base-Base interactions energy: -23.916
where: short stacking energy: -23.916
Base-Backbone interact. energy: -0.445
local terms energy: -50.173525
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -232.273551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.273551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.273551 (E_RNA)
where:
Base-Base interactions energy: -164.441
where: short stacking energy: -70.099
Base-Backbone interact. energy: -0.271
local terms energy: -67.561242
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -224.446997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.446997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.446997 (E_RNA)
where:
Base-Base interactions energy: -154.317
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.137
local terms energy: -69.992920
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -184.530765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.530765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.530765 (E_RNA)
where:
Base-Base interactions energy: -121.909
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.022
local terms energy: -62.599721
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -195.355406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.355406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.355406 (E_RNA)
where:
Base-Base interactions energy: -126.498
where: short stacking energy: -66.674
Base-Backbone interact. energy: 0.090
local terms energy: -68.947558
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -16.502
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: 135
Temperature: 1.100000
Total energy: -183.648511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.648511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.648511 (E_RNA)
where:
Base-Base interactions energy: -121.475
where: short stacking energy: -50.365
Base-Backbone interact. energy: -0.098
local terms energy: -62.075082
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.334
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -117.596867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.596867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.596867 (E_RNA)
where:
Base-Base interactions energy: -65.944
where: short stacking energy: -41.094
Base-Backbone interact. energy: 0.224
local terms energy: -51.877190
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -104.086229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.086229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.086229 (E_RNA)
where:
Base-Base interactions energy: -38.144
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.088
local terms energy: -65.854323
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -85.819364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.819364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.819364 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -25.502
Base-Backbone interact. energy: -0.090
local terms energy: -57.011903
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -2.289
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: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -86.019097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.019097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.019097 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -28.910
Base-Backbone interact. energy: -0.117
local terms energy: -55.312838
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -6.569
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: 135
Temperature: 1.350000
Total energy: -70.521106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.521106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.521106 (E_RNA)
where:
Base-Base interactions energy: -23.635
where: short stacking energy: -22.728
Base-Backbone interact. energy: -0.216
local terms energy: -46.670043
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: 0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -231.234678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.234678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.234678 (E_RNA)
where:
Base-Base interactions energy: -165.075
where: short stacking energy: -63.737
Base-Backbone interact. energy: -0.252
local terms energy: -65.908088
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -219.936714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.936714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.936714 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -62.406
Base-Backbone interact. energy: 0.478
local terms energy: -72.357915
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -188.143656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.143656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.143656 (E_RNA)
where:
Base-Base interactions energy: -117.784
where: short stacking energy: -59.635
Base-Backbone interact. energy: -1.311
local terms energy: -69.048234
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -196.379171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.379171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.379171 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.672
local terms energy: -67.356472
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -184.516384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516384 (E_RNA)
where:
Base-Base interactions energy: -114.664
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.173
local terms energy: -69.679142
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -101.061182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.061182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.061182 (E_RNA)
where:
Base-Base interactions energy: -44.682
where: short stacking energy: -23.039
Base-Backbone interact. energy: -0.177
local terms energy: -56.202061
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.536
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: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -104.955036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.955036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.955036 (E_RNA)
where:
Base-Base interactions energy: -43.385
where: short stacking energy: -41.487
Base-Backbone interact. energy: -0.274
local terms energy: -61.295854
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -7.515
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: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -104.219930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.219930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.219930 (E_RNA)
where:
Base-Base interactions energy: -47.309
where: short stacking energy: -45.436
Base-Backbone interact. energy: -0.446
local terms energy: -56.464992
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -80.514404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514404 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.659
local terms energy: -47.974860
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -3.248
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: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -73.400631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.400631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.400631 (E_RNA)
where:
Base-Base interactions energy: -18.059
where: short stacking energy: -18.059
Base-Backbone interact. energy: -0.077
local terms energy: -55.264425
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -235.581575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.581575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.581575 (E_RNA)
where:
Base-Base interactions energy: -167.321
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.011
local terms energy: -68.249192
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.836
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: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -215.100871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.100871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.100871 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -68.209
Base-Backbone interact. energy: -0.901
local terms energy: -70.905076
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -17.477
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: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -199.762596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.762596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.762596 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.046
local terms energy: -72.502635
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -185.326468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.326468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.326468 (E_RNA)
where:
Base-Base interactions energy: -122.893
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.063
local terms energy: -62.370261
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -13.225
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: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -192.498233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498233 (E_RNA)
where:
Base-Base interactions energy: -118.974
where: short stacking energy: -53.181
Base-Backbone interact. energy: -0.186
local terms energy: -73.338515
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -109.148438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.148438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.148438 (E_RNA)
where:
Base-Base interactions energy: -50.869
where: short stacking energy: -50.869
Base-Backbone interact. energy: -0.010
local terms energy: -58.269847
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -108.284614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.284614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.284614 (E_RNA)
where:
Base-Base interactions energy: -51.509
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.068
local terms energy: -56.707809
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -89.260877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.260877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.260877 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.004
local terms energy: -47.966510
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -88.092210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.092210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.092210 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -35.987
Base-Backbone interact. energy: -0.051
local terms energy: -50.251337
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -7.329
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: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -74.744198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.744198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.744198 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.169
local terms energy: -48.932533
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -229.053860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.053860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.053860 (E_RNA)
where:
Base-Base interactions energy: -150.254
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.518
local terms energy: -78.282335
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -13.833
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -225.156545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.156545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.156545 (E_RNA)
where:
Base-Base interactions energy: -152.114
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.436
local terms energy: -72.606175
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -197.880810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.880810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.880810 (E_RNA)
where:
Base-Base interactions energy: -124.179
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.308
local terms energy: -73.393771
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -188.337341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.337341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.337341 (E_RNA)
where:
Base-Base interactions energy: -124.689
where: short stacking energy: -50.307
Base-Backbone interact. energy: 0.206
local terms energy: -63.854227
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.535
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: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -185.574134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.574134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.574134 (E_RNA)
where:
Base-Base interactions energy: -121.059
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.059
local terms energy: -64.456484
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -90.416573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.416573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.416573 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.128
local terms energy: -56.070438
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -6.780
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -129.334183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.334183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.334183 (E_RNA)
where:
Base-Base interactions energy: -71.783
where: short stacking energy: -34.210
Base-Backbone interact. energy: -0.268
local terms energy: -57.282724
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -82.918753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918753 (E_RNA)
where:
Base-Base interactions energy: -25.107
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.359
local terms energy: -57.453702
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -12.076
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: 138
Temperature: 1.300000
Total energy: -91.736376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.736376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.736376 (E_RNA)
where:
Base-Base interactions energy: -39.265
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.077
local terms energy: -52.394553
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -72.112154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.112154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.112154 (E_RNA)
where:
Base-Base interactions energy: -25.897
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.496
local terms energy: -45.719583
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -220.174290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.174290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.174290 (E_RNA)
where:
Base-Base interactions energy: -145.227
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.576
local terms energy: -74.371335
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -235.383484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.383484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.383484 (E_RNA)
where:
Base-Base interactions energy: -164.104
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.218
local terms energy: -71.061311
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -202.217350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.217350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.217350 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.012
local terms energy: -70.691486
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -220.438697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.438697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.438697 (E_RNA)
where:
Base-Base interactions energy: -139.242
where: short stacking energy: -67.921
Base-Backbone interact. energy: -0.788
local terms energy: -80.408951
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -20.694
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: 139
Temperature: 1.100000
Total energy: -178.126855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.126855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.126855 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -55.556
Base-Backbone interact. energy: -0.696
local terms energy: -62.597548
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -12.614
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: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -135.814776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.814776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.814776 (E_RNA)
where:
Base-Base interactions energy: -76.934
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.599
local terms energy: -58.281222
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -92.592597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.592597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.592597 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.147
local terms energy: -55.635235
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.569
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: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -84.482702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.482702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.482702 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -23.140
Base-Backbone interact. energy: -0.402
local terms energy: -44.283124
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -85.468510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.468510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.468510 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -38.731
Base-Backbone interact. energy: -0.467
local terms energy: -45.331929
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -87.029261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029261 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.891
local terms energy: -49.833624
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -236.331261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.331261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.331261 (E_RNA)
where:
Base-Base interactions energy: -166.002
where: short stacking energy: -68.222
Base-Backbone interact. energy: 0.038
local terms energy: -70.367410
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -217.371134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.371134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.371134 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.573
local terms energy: -69.832801
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -16.320
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -209.630830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.630830 (E_RNA)
where:
Base-Base interactions energy: -139.251
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.104
local terms energy: -70.276187
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -187.575407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.575407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.575407 (E_RNA)
where:
Base-Base interactions energy: -115.928
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.710
local terms energy: -70.937019
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -18.894
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: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -190.489958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.489958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.489958 (E_RNA)
where:
Base-Base interactions energy: -120.423
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.077
local terms energy: -69.990184
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -20.290
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: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -104.624019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.624019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.624019 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -28.570
Base-Backbone interact. energy: -0.215
local terms energy: -56.818967
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -0.920
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: 140
Temperature: 1.200000
Total energy: -83.970618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970618 (E_RNA)
where:
Base-Base interactions energy: -42.714
where: short stacking energy: -26.544
Base-Backbone interact. energy: 1.854
local terms energy: -43.110758
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -9.621
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.242
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: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -83.009261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.009261 (E_RNA)
where:
Base-Base interactions energy: -28.604
where: short stacking energy: -28.604
Base-Backbone interact. energy: 0.202
local terms energy: -54.607332
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -78.463890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463890 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -33.806
Base-Backbone interact. energy: 0.274
local terms energy: -35.243611
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: 0.024
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -76.844124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844124 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.144
local terms energy: -43.420488
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -5.407
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: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -237.518503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518503 (E_RNA)
where:
Base-Base interactions energy: -165.881
where: short stacking energy: -70.456
Base-Backbone interact. energy: -0.386
local terms energy: -71.251262
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -8.340
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: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -221.806270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.806270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.806270 (E_RNA)
where:
Base-Base interactions energy: -159.593
where: short stacking energy: -74.773
Base-Backbone interact. energy: -0.037
local terms energy: -62.175886
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -222.609240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609240 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -65.360
Base-Backbone interact. energy: 0.448
local terms energy: -76.910457
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -204.183622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.183622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.183622 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.565
local terms energy: -76.277352
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -198.977696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.977696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.977696 (E_RNA)
where:
Base-Base interactions energy: -126.671
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.079
local terms energy: -72.227212
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -102.891022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.891022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.891022 (E_RNA)
where:
Base-Base interactions energy: -44.812
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.236
local terms energy: -57.843059
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -83.578954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578954 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -26.073
Base-Backbone interact. energy: -0.075
local terms energy: -54.704804
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -78.715165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.715165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.715165 (E_RNA)
where:
Base-Base interactions energy: -27.243
where: short stacking energy: -24.254
Base-Backbone interact. energy: 0.398
local terms energy: -51.869637
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -84.291414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.291414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.291414 (E_RNA)
where:
Base-Base interactions energy: -34.747
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.090
local terms energy: -49.453942
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -75.323042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.323042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.323042 (E_RNA)
where:
Base-Base interactions energy: -28.163
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.520
local terms energy: -46.639970
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.787703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.787703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.787703 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -69.062
Base-Backbone interact. energy: -0.582
local terms energy: -68.151594
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -222.327740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.327740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327740 (E_RNA)
where:
Base-Base interactions energy: -147.921
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.091
local terms energy: -74.315115
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -201.970096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.970096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.970096 (E_RNA)
where:
Base-Base interactions energy: -128.278
where: short stacking energy: -62.166
Base-Backbone interact. energy: -1.617
local terms energy: -72.074906
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -209.799786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.799786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.799786 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.244
local terms energy: -73.076316
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -17.372
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: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -190.046823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046823 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -62.777
Base-Backbone interact. energy: 1.013
local terms energy: -67.801024
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.106
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: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -118.517460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.517460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.517460 (E_RNA)
where:
Base-Base interactions energy: -53.870
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.001
local terms energy: -64.646157
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -103.137192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.137192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.137192 (E_RNA)
where:
Base-Base interactions energy: -50.857
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.017
local terms energy: -52.263117
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -83.389758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389758 (E_RNA)
where:
Base-Base interactions energy: -26.708
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.101
local terms energy: -56.580451
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -77.775155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775155 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -27.781
Base-Backbone interact. energy: 0.179
local terms energy: -50.090303
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.374
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: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -74.893561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.893561 (E_RNA)
where:
Base-Base interactions energy: -26.285
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.069
local terms energy: -48.539924
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: 1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -235.533341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.533341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.533341 (E_RNA)
where:
Base-Base interactions energy: -159.990
where: short stacking energy: -73.060
Base-Backbone interact. energy: -0.632
local terms energy: -74.911204
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -220.034414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.034414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.034414 (E_RNA)
where:
Base-Base interactions energy: -144.035
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.305
local terms energy: -75.694443
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -21.771
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -196.081343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.081343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.081343 (E_RNA)
where:
Base-Base interactions energy: -122.175
where: short stacking energy: -55.722
Base-Backbone interact. energy: -0.771
local terms energy: -73.135403
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -13.367
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -213.849200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.849200 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.364
local terms energy: -73.716750
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -171.879604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.879604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.879604 (E_RNA)
where:
Base-Base interactions energy: -107.077
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.304
local terms energy: -64.499062
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -100.452323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.452323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.452323 (E_RNA)
where:
Base-Base interactions energy: -41.925
where: short stacking energy: -41.925
Base-Backbone interact. energy: -0.028
local terms energy: -58.498708
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -104.194749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.194749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.194749 (E_RNA)
where:
Base-Base interactions energy: -45.576
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.685
local terms energy: -57.933157
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -92.526316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526316 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -26.000
Base-Backbone interact. energy: 1.076
local terms energy: -53.481421
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -81.944685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.944685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.944685 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.976
local terms energy: -52.491331
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -73.925849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.925849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.925849 (E_RNA)
where:
Base-Base interactions energy: -24.953
where: short stacking energy: -24.166
Base-Backbone interact. energy: -1.183
local terms energy: -47.789719
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -235.143393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.143393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.143393 (E_RNA)
where:
Base-Base interactions energy: -161.957
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.470
local terms energy: -72.716439
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -13.653
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: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -218.902892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.902892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.902892 (E_RNA)
where:
Base-Base interactions energy: -145.444
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.059
local terms energy: -73.399497
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -14.381
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: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -215.512320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.512320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.512320 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.197
local terms energy: -71.245118
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -186.650681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.650681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.650681 (E_RNA)
where:
Base-Base interactions energy: -119.986
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.190
local terms energy: -66.474279
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -188.395561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.395561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.395561 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.929
local terms energy: -67.950238
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -124.547257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.547257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.547257 (E_RNA)
where:
Base-Base interactions energy: -56.016
where: short stacking energy: -47.422
Base-Backbone interact. energy: -0.005
local terms energy: -68.526460
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -90.059115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059115 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.101
local terms energy: -50.765640
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -90.504348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504348 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.060
local terms energy: -50.947353
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -7.055
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -80.639377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.639377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.639377 (E_RNA)
where:
Base-Base interactions energy: -33.955
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.344
local terms energy: -46.340566
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 0.574
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: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -72.356455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.356455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.356455 (E_RNA)
where:
Base-Base interactions energy: -33.162
where: short stacking energy: -23.601
Base-Backbone interact. energy: -0.256
local terms energy: -38.937973
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -1.636
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: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -230.746158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.746158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.746158 (E_RNA)
where:
Base-Base interactions energy: -161.536
where: short stacking energy: -72.180
Base-Backbone interact. energy: 1.309
local terms energy: -70.518684
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -225.881635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.881635 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.302
local terms energy: -77.163669
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -211.615892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.615892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.615892 (E_RNA)
where:
Base-Base interactions energy: -141.585
where: short stacking energy: -51.003
Base-Backbone interact. energy: -0.224
local terms energy: -69.806605
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -191.471823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.471823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.471823 (E_RNA)
where:
Base-Base interactions energy: -113.874
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.006
local terms energy: -77.591936
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -153.760343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.760343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.760343 (E_RNA)
where:
Base-Base interactions energy: -94.055
where: short stacking energy: -50.069
Base-Backbone interact. energy: -0.596
local terms energy: -59.109576
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -5.504
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: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -90.848606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.848606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.848606 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.528
local terms energy: -53.655961
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.736
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: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -104.692922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.692922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.692922 (E_RNA)
where:
Base-Base interactions energy: -52.088
where: short stacking energy: -41.395
Base-Backbone interact. energy: 0.399
local terms energy: -53.003530
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.400
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: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -84.151706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.151706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.151706 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.525
local terms energy: -44.844021
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.820
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.833572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.833572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.833572 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -25.385
Base-Backbone interact. energy: -0.001
local terms energy: -43.390034
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -6.917
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: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -92.943503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.943503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.943503 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.047
local terms energy: -50.944270
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.597
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -227.450538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.450538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.450538 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -67.870
Base-Backbone interact. energy: -1.217
local terms energy: -77.464546
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -226.387437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.387437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.387437 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -66.506
Base-Backbone interact. energy: -0.580
local terms energy: -68.419085
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -193.529192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.529192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.529192 (E_RNA)
where:
Base-Base interactions energy: -124.094
where: short stacking energy: -66.837
Base-Backbone interact. energy: -0.025
local terms energy: -69.410307
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -209.866883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.866883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.866883 (E_RNA)
where:
Base-Base interactions energy: -141.239
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.178
local terms energy: -68.449464
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -163.270796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.270796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.270796 (E_RNA)
where:
Base-Base interactions energy: -98.683
where: short stacking energy: -43.560
Base-Backbone interact. energy: -0.643
local terms energy: -63.944925
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -96.977922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.977922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.977922 (E_RNA)
where:
Base-Base interactions energy: -46.826
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.478
local terms energy: -49.673915
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -100.229616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.229616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.229616 (E_RNA)
where:
Base-Base interactions energy: -45.918
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.047
local terms energy: -54.264353
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -94.200821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.200821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.200821 (E_RNA)
where:
Base-Base interactions energy: -48.440
where: short stacking energy: -26.712
Base-Backbone interact. energy: -1.248
local terms energy: -44.512802
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -89.454091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.454091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.454091 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.095
local terms energy: -51.234711
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -69.414264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.414264 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -28.100
Base-Backbone interact. energy: 1.062
local terms energy: -34.138284
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: 2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -230.074206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.074206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.074206 (E_RNA)
where:
Base-Base interactions energy: -151.928
where: short stacking energy: -69.781
Base-Backbone interact. energy: -1.485
local terms energy: -76.661648
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -222.919732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919732 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -58.175
Base-Backbone interact. energy: 3.018
local terms energy: -74.611408
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -13.677
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: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -185.865054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.865054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.865054 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.026
local terms energy: -69.618677
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -222.410265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.410265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.410265 (E_RNA)
where:
Base-Base interactions energy: -142.712
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.325
local terms energy: -79.372653
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -170.836496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.836496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.836496 (E_RNA)
where:
Base-Base interactions energy: -107.210
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.508
local terms energy: -63.118137
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -90.491088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.491088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.491088 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.314
local terms energy: -50.553456
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -7.055
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -10.108
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: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -84.339339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.339339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.339339 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -27.113
Base-Backbone interact. energy: 0.472
local terms energy: -53.283893
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -98.460965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.460965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.460965 (E_RNA)
where:
Base-Base interactions energy: -46.273
where: short stacking energy: -35.727
Base-Backbone interact. energy: -0.904
local terms energy: -51.284198
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -89.897478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.897478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.897478 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -36.306
Base-Backbone interact. energy: 1.603
local terms energy: -50.190144
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -80.956109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956109 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.135
local terms energy: -47.579593
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -10.642
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: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -228.315861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.315861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.315861 (E_RNA)
where:
Base-Base interactions energy: -158.941
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.278
local terms energy: -69.096847
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -216.235677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.235677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.235677 (E_RNA)
where:
Base-Base interactions energy: -140.757
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.047
local terms energy: -75.431498
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -218.366901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.366901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.366901 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -67.545
Base-Backbone interact. energy: 1.275
local terms energy: -69.697288
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -194.423130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.423130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.423130 (E_RNA)
where:
Base-Base interactions energy: -114.225
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.182
local terms energy: -80.016566
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -173.701937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.701937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.701937 (E_RNA)
where:
Base-Base interactions energy: -111.436
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.082
local terms energy: -62.184271
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.717
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: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -95.537830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.537830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.537830 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.121
local terms energy: -62.300621
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -94.231632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231632 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -40.381
Base-Backbone interact. energy: -0.023
local terms energy: -52.138089
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -121.579547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.579547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.579547 (E_RNA)
where:
Base-Base interactions energy: -71.804
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.253
local terms energy: -49.521967
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -84.754139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754139 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.111
local terms energy: -45.994599
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -84.321957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.321957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.321957 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.244
local terms energy: -43.766775
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -5.954
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -230.349215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.349215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.349215 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -68.783
Base-Backbone interact. energy: 0.361
local terms energy: -70.372341
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -213.279195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.279195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.279195 (E_RNA)
where:
Base-Base interactions energy: -145.822
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.059
local terms energy: -67.397889
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -203.249150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.249150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.249150 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.950
local terms energy: -67.337289
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -9.678
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: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -198.602544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.602544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.602544 (E_RNA)
where:
Base-Base interactions energy: -128.259
where: short stacking energy: -71.834
Base-Backbone interact. energy: -1.791
local terms energy: -68.552186
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -191.122075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.122075 (E_RNA)
where:
Base-Base interactions energy: -122.810
where: short stacking energy: -61.840
Base-Backbone interact. energy: -1.546
local terms energy: -66.766545
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -98.461483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.461483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.461483 (E_RNA)
where:
Base-Base interactions energy: -44.668
where: short stacking energy: -44.668
Base-Backbone interact. energy: -0.040
local terms energy: -53.752971
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -90.360485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.360485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.360485 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.300
local terms energy: -46.983760
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -1.288
tors. eta vs tors. theta energy: -10.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -149.269592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.269592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.269592 (E_RNA)
where:
Base-Base interactions energy: -90.349
where: short stacking energy: -42.107
Base-Backbone interact. energy: 0.531
local terms energy: -59.451011
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -81.945729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945729 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.169
local terms energy: -49.108545
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -3.732
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: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -89.735907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.735907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.735907 (E_RNA)
where:
Base-Base interactions energy: -37.749
where: short stacking energy: -29.586
Base-Backbone interact. energy: -0.428
local terms energy: -51.559021
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -238.410095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.410095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.410095 (E_RNA)
where:
Base-Base interactions energy: -162.439
where: short stacking energy: -69.945
Base-Backbone interact. energy: 0.872
local terms energy: -76.843374
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -220.872841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.872841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.872841 (E_RNA)
where:
Base-Base interactions energy: -143.550
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.072
local terms energy: -77.251279
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.924
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: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -208.476911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.476911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.476911 (E_RNA)
where:
Base-Base interactions energy: -130.495
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.016
local terms energy: -77.966288
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -21.612
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: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -201.336075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.336075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.336075 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.119
local terms energy: -67.335530
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -15.608
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: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -177.719509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.719509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.719509 (E_RNA)
where:
Base-Base interactions energy: -117.387
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.525
local terms energy: -59.807489
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -7.576
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -101.016620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.016620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.016620 (E_RNA)
where:
Base-Base interactions energy: -41.125
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.181
local terms energy: -59.710203
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -8.055
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -151.625665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.625665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.625665 (E_RNA)
where:
Base-Base interactions energy: -89.439
where: short stacking energy: -49.442
Base-Backbone interact. energy: 0.232
local terms energy: -62.419566
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -85.569071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.569071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.569071 (E_RNA)
where:
Base-Base interactions energy: -29.450
where: short stacking energy: -28.621
Base-Backbone interact. energy: -0.096
local terms energy: -56.023187
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -80.172725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172725 (E_RNA)
where:
Base-Base interactions energy: -32.330
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.098
local terms energy: -47.744425
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.314470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.314470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.314470 (E_RNA)
where:
Base-Base interactions energy: -31.691
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.690
local terms energy: -45.933389
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -233.897380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.897380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.897380 (E_RNA)
where:
Base-Base interactions energy: -162.681
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.203
local terms energy: -71.013260
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -215.858717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.858717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.858717 (E_RNA)
where:
Base-Base interactions energy: -144.562
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.073
local terms energy: -71.223613
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -218.706254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.706254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.706254 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -74.873
Base-Backbone interact. energy: -0.238
local terms energy: -73.991720
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -13.138
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -188.492165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.492165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492165 (E_RNA)
where:
Base-Base interactions energy: -123.560
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.277
local terms energy: -64.654508
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -185.470918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.470918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.470918 (E_RNA)
where:
Base-Base interactions energy: -131.127
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.045
local terms energy: -54.299243
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -101.708524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708524 (E_RNA)
where:
Base-Base interactions energy: -61.664
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.306
local terms energy: -39.737769
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -5.411
flat angles P-C4'-P energy: -8.098
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: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -94.945845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.945845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.945845 (E_RNA)
where:
Base-Base interactions energy: -45.486
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.206
local terms energy: -49.253844
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.504
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -86.508258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508258 (E_RNA)
where:
Base-Base interactions energy: -30.846
where: short stacking energy: -21.529
Base-Backbone interact. energy: 0.902
local terms energy: -56.564692
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -5.311
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: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -85.921043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921043 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -34.595
Base-Backbone interact. energy: -0.890
local terms energy: -46.090804
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -6.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -82.140785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.140785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.140785 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.009
local terms energy: -50.713178
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -227.353230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.353230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.353230 (E_RNA)
where:
Base-Base interactions energy: -151.141
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.989
local terms energy: -75.223371
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -235.951574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.951574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.951574 (E_RNA)
where:
Base-Base interactions energy: -160.826
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.360
local terms energy: -74.765907
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -209.507617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.507617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.507617 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.649
local terms energy: -69.105373
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -21.128
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -171.483310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483310 (E_RNA)
where:
Base-Base interactions energy: -109.982
where: short stacking energy: -52.168
Base-Backbone interact. energy: -0.133
local terms energy: -61.368891
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -182.513900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.513900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.513900 (E_RNA)
where:
Base-Base interactions energy: -111.381
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.479
local terms energy: -70.654125
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -95.352518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.352518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.352518 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -34.879
Base-Backbone interact. energy: -0.359
local terms energy: -57.542263
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -96.996757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.996757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.996757 (E_RNA)
where:
Base-Base interactions energy: -43.269
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.068
local terms energy: -53.660723
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -86.942915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.942915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.942915 (E_RNA)
where:
Base-Base interactions energy: -35.609
where: short stacking energy: -35.609
Base-Backbone interact. energy: -0.197
local terms energy: -51.136663
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -81.911647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.911647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.911647 (E_RNA)
where:
Base-Base interactions energy: -41.245
where: short stacking energy: -26.327
Base-Backbone interact. energy: 0.542
local terms energy: -41.209269
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -1.413
tors. eta vs tors. theta energy: 3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -77.026549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.026549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.026549 (E_RNA)
where:
Base-Base interactions energy: -28.380
where: short stacking energy: -27.327
Base-Backbone interact. energy: -0.247
local terms energy: -48.399993
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -215.232547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.232547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.232547 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.552
local terms energy: -73.461291
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -230.876516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.876516 (E_RNA)
where:
Base-Base interactions energy: -146.840
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.001
local terms energy: -84.035364
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -20.796
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: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -228.631493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.631493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.631493 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -61.946
Base-Backbone interact. energy: -0.370
local terms energy: -74.154779
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -204.103270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.103270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.103270 (E_RNA)
where:
Base-Base interactions energy: -133.445
where: short stacking energy: -60.782
Base-Backbone interact. energy: 0.513
local terms energy: -71.171416
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -17.008
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: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -168.307200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307200 (E_RNA)
where:
Base-Base interactions energy: -110.003
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.252
local terms energy: -58.052582
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -8.782
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -106.783389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.783389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.783389 (E_RNA)
where:
Base-Base interactions energy: -52.517
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.135
local terms energy: -54.131337
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -4.258
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: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -92.359381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.359381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.359381 (E_RNA)
where:
Base-Base interactions energy: -42.207
where: short stacking energy: -35.726
Base-Backbone interact. energy: -0.123
local terms energy: -50.030161
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -9.580
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: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -97.670987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.670987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.670987 (E_RNA)
where:
Base-Base interactions energy: -53.785
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.347
local terms energy: -43.539289
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -75.681727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.681727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.681727 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.161
local terms energy: -46.951922
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -82.971637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971637 (E_RNA)
where:
Base-Base interactions energy: -32.821
where: short stacking energy: -28.745
Base-Backbone interact. energy: 0.666
local terms energy: -50.816790
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -219.613399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613399 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -65.800
Base-Backbone interact. energy: 0.733
local terms energy: -71.901682
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -219.121284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121284 (E_RNA)
where:
Base-Base interactions energy: -134.450
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.002
local terms energy: -84.669367
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -225.181168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.181168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.181168 (E_RNA)
where:
Base-Base interactions energy: -161.406
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.192
local terms energy: -63.583721
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -15.436
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: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -198.799124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.799124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.799124 (E_RNA)
where:
Base-Base interactions energy: -123.220
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.050
local terms energy: -75.529513
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -161.188260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.188260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.188260 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -44.827
Base-Backbone interact. energy: -0.224
local terms energy: -63.114632
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -107.236807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.236807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.236807 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.082
local terms energy: -60.633770
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -89.178655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178655 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.350
local terms energy: -56.697948
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -84.579294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579294 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -27.051
Base-Backbone interact. energy: -0.391
local terms energy: -45.877083
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -91.105216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.105216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.105216 (E_RNA)
where:
Base-Base interactions energy: -51.215
where: short stacking energy: -39.778
Base-Backbone interact. energy: -0.073
local terms energy: -39.817460
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -4.898
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -81.125186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.125186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.125186 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.387
local terms energy: -51.349657
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -228.420652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.420652 (E_RNA)
where:
Base-Base interactions energy: -153.648
where: short stacking energy: -76.729
Base-Backbone interact. energy: 2.612
local terms energy: -77.385237
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -17.967
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: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -234.097081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.097081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.097081 (E_RNA)
where:
Base-Base interactions energy: -168.185
where: short stacking energy: -75.145
Base-Backbone interact. energy: -0.037
local terms energy: -65.875100
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -210.332118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332118 (E_RNA)
where:
Base-Base interactions energy: -136.146
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.008
local terms energy: -74.178416
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -208.756260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.756260 (E_RNA)
where:
Base-Base interactions energy: -128.283
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.193
local terms energy: -80.280433
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -166.465300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.465300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.465300 (E_RNA)
where:
Base-Base interactions energy: -101.570
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.031
local terms energy: -64.864668
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -116.035373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.035373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.035373 (E_RNA)
where:
Base-Base interactions energy: -58.275
where: short stacking energy: -40.645
Base-Backbone interact. energy: -0.149
local terms energy: -57.610975
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -93.642684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642684 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.043
local terms energy: -60.882939
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -96.995623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.995623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.995623 (E_RNA)
where:
Base-Base interactions energy: -35.208
where: short stacking energy: -35.508
Base-Backbone interact. energy: -0.125
local terms energy: -61.662085
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -135.548163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.548163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.548163 (E_RNA)
where:
Base-Base interactions energy: -86.112
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.128
local terms energy: -49.308526
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -9.204
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: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -72.426954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.426954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.426954 (E_RNA)
where:
Base-Base interactions energy: -22.275
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.371
local terms energy: -49.781042
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -237.174751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.174751 (E_RNA)
where:
Base-Base interactions energy: -167.366
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.686
local terms energy: -69.122436
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -223.571787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.571787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.571787 (E_RNA)
where:
Base-Base interactions energy: -148.703
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.861
local terms energy: -74.007515
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -14.588
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: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -222.358197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358197 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.006
local terms energy: -82.480620
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -188.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.506202 (E_RNA)
where:
Base-Base interactions energy: -122.242
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.116
local terms energy: -66.148590
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.035
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: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -117.302611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302611 (E_RNA)
where:
Base-Base interactions energy: -60.133
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.038
local terms energy: -57.131521
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -8.641
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: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -163.747812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.747812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.747812 (E_RNA)
where:
Base-Base interactions energy: -97.607
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.150
local terms energy: -65.990995
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -96.683239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.683239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.683239 (E_RNA)
where:
Base-Base interactions energy: -35.633
where: short stacking energy: -32.032
Base-Backbone interact. energy: -0.343
local terms energy: -60.706916
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -94.605451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.605451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.605451 (E_RNA)
where:
Base-Base interactions energy: -53.885
where: short stacking energy: -40.072
Base-Backbone interact. energy: -0.224
local terms energy: -40.496375
where:
bonds (distance) C4'-P energy: -6.504
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -150.651946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.651946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.651946 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -43.631
Base-Backbone interact. energy: -0.116
local terms energy: -49.420403
where:
bonds (distance) C4'-P energy: -4.869
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -10.642
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: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -74.949137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.949137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.949137 (E_RNA)
where:
Base-Base interactions energy: -26.528
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.068
local terms energy: -48.352191
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -233.495075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.495075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.495075 (E_RNA)
where:
Base-Base interactions energy: -164.186
where: short stacking energy: -70.155
Base-Backbone interact. energy: -1.116
local terms energy: -68.192951
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -224.995236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995236 (E_RNA)
where:
Base-Base interactions energy: -151.861
where: short stacking energy: -74.652
Base-Backbone interact. energy: -0.103
local terms energy: -73.030702
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -200.376255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.376255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.376255 (E_RNA)
where:
Base-Base interactions energy: -131.956
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.311
local terms energy: -68.108536
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -186.827225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.827225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.827225 (E_RNA)
where:
Base-Base interactions energy: -119.536
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.287
local terms energy: -67.003868
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -100.125735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.125735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.125735 (E_RNA)
where:
Base-Base interactions energy: -36.282
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.014
local terms energy: -63.829884
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -7.806
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -152.215703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.215703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.215703 (E_RNA)
where:
Base-Base interactions energy: -89.136
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.113
local terms energy: -62.966838
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -99.366036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.366036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.366036 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -38.205
Base-Backbone interact. energy: -1.110
local terms energy: -60.050968
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -172.424188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.424188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.424188 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.025
local terms energy: -60.859131
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -82.560184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.560184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.560184 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.130
local terms energy: -54.996064
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -5.998
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: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -78.815075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.815075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.815075 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.239
local terms energy: -49.615323
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -231.227386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.227386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.227386 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -68.106
Base-Backbone interact. energy: -0.515
local terms energy: -64.518694
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -221.353028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.353028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.353028 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.359
local terms energy: -71.373195
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -202.501319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.501319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.501319 (E_RNA)
where:
Base-Base interactions energy: -128.220
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.002
local terms energy: -74.279034
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -193.364881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.364881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.364881 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.266
local terms energy: -74.212765
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -153.648550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.648550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.648550 (E_RNA)
where:
Base-Base interactions energy: -90.563
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.813
local terms energy: -62.272131
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -104.985840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.985840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.985840 (E_RNA)
where:
Base-Base interactions energy: -43.680
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.119
local terms energy: -61.186198
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -144.378855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.378855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.378855 (E_RNA)
where:
Base-Base interactions energy: -92.589
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.024
local terms energy: -51.766158
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -110.402297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.402297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.402297 (E_RNA)
where:
Base-Base interactions energy: -60.813
where: short stacking energy: -29.513
Base-Backbone interact. energy: 2.354
local terms energy: -51.943182
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -82.441725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.441725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.441725 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -31.975
Base-Backbone interact. energy: -0.098
local terms energy: -50.368732
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -9.604
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: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -69.680070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.680070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.680070 (E_RNA)
where:
Base-Base interactions energy: -17.946
where: short stacking energy: -17.683
Base-Backbone interact. energy: -0.634
local terms energy: -51.100206
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.379
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: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -231.190123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.190123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.190123 (E_RNA)
where:
Base-Base interactions energy: -161.122
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.952
local terms energy: -69.116309
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -213.498550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.498550 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.374
local terms energy: -76.361669
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -11.174
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: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -213.016898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016898 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.115
local terms energy: -72.865536
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.682
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -196.316934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.316934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.316934 (E_RNA)
where:
Base-Base interactions energy: -124.779
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.150
local terms energy: -71.387639
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -180.620796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.620796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.620796 (E_RNA)
where:
Base-Base interactions energy: -110.864
where: short stacking energy: -54.679
Base-Backbone interact. energy: -0.465
local terms energy: -69.291384
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -158.759872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.759872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.759872 (E_RNA)
where:
Base-Base interactions energy: -90.911
where: short stacking energy: -47.181
Base-Backbone interact. energy: -1.015
local terms energy: -66.833488
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -14.283
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: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -140.801449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.801449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.801449 (E_RNA)
where:
Base-Base interactions energy: -81.382
where: short stacking energy: -37.696
Base-Backbone interact. energy: 0.271
local terms energy: -59.690634
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.903
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: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -82.668369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.668369 (E_RNA)
where:
Base-Base interactions energy: -39.779
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.193
local terms energy: -42.696439
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -80.129141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129141 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.066
local terms energy: -45.735940
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -5.647
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -78.792828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.792828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.792828 (E_RNA)
where:
Base-Base interactions energy: -35.179
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.025
local terms energy: -43.588235
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -228.295021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.295021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.295021 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -62.805
Base-Backbone interact. energy: -0.561
local terms energy: -65.223708
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -224.502567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.502567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.502567 (E_RNA)
where:
Base-Base interactions energy: -144.645
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.719
local terms energy: -79.138615
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -22.346
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: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -194.936766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.936766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.936766 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.000
local terms energy: -73.590719
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -217.551807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.551807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551807 (E_RNA)
where:
Base-Base interactions energy: -147.440
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.218
local terms energy: -69.893909
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -183.110649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.110649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.110649 (E_RNA)
where:
Base-Base interactions energy: -115.503
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.085
local terms energy: -67.522773
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -155.851368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.851368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.851368 (E_RNA)
where:
Base-Base interactions energy: -91.679
where: short stacking energy: -41.889
Base-Backbone interact. energy: 1.147
local terms energy: -65.319429
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -93.116111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116111 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.046
local terms energy: -57.864291
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.242
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: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -147.216439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.216439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.216439 (E_RNA)
where:
Base-Base interactions energy: -91.176
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.115
local terms energy: -55.926260
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.028626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.028626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.028626 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.068
local terms energy: -49.591630
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -77.763271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.763271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.763271 (E_RNA)
where:
Base-Base interactions energy: -39.632
where: short stacking energy: -30.588
Base-Backbone interact. energy: -0.162
local terms energy: -37.968778
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -8.856
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -234.069811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.069811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.069811 (E_RNA)
where:
Base-Base interactions energy: -160.965
where: short stacking energy: -62.773
Base-Backbone interact. energy: -0.433
local terms energy: -72.672011
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -200.726780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.726780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.726780 (E_RNA)
where:
Base-Base interactions energy: -124.149
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.759
local terms energy: -75.819652
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -206.219544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.219544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.219544 (E_RNA)
where:
Base-Base interactions energy: -128.314
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.007
local terms energy: -77.898647
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -12.697
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: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -189.246810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.246810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.246810 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.248
local terms energy: -74.163216
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -212.765365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.765365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.765365 (E_RNA)
where:
Base-Base interactions energy: -137.296
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.391
local terms energy: -75.078574
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -186.836659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.836659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.836659 (E_RNA)
where:
Base-Base interactions energy: -115.399
where: short stacking energy: -53.552
Base-Backbone interact. energy: -1.176
local terms energy: -70.261787
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -107.911851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.911851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.911851 (E_RNA)
where:
Base-Base interactions energy: -53.248
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.041
local terms energy: -54.622244
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.233
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: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -161.837043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.837043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.837043 (E_RNA)
where:
Base-Base interactions energy: -93.969
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.171
local terms energy: -67.697289
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -90.804708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804708 (E_RNA)
where:
Base-Base interactions energy: -36.663
where: short stacking energy: -28.947
Base-Backbone interact. energy: -0.725
local terms energy: -53.416729
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -84.252033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252033 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.002
local terms energy: -52.199917
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -7.643
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: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -237.891494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.891494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.891494 (E_RNA)
where:
Base-Base interactions energy: -158.079
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.336
local terms energy: -79.476785
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -15.682
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -197.318104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.318104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.318104 (E_RNA)
where:
Base-Base interactions energy: -125.151
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.027
local terms energy: -72.140862
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -196.827604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827604 (E_RNA)
where:
Base-Base interactions energy: -118.631
where: short stacking energy: -63.015
Base-Backbone interact. energy: -1.206
local terms energy: -76.990660
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -200.738187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.738187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.738187 (E_RNA)
where:
Base-Base interactions energy: -123.889
where: short stacking energy: -53.432
Base-Backbone interact. energy: -1.496
local terms energy: -75.352453
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -189.029762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029762 (E_RNA)
where:
Base-Base interactions energy: -120.723
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.154
local terms energy: -68.152868
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.854
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: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -210.648627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.648627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648627 (E_RNA)
where:
Base-Base interactions energy: -142.728
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.103
local terms energy: -67.817220
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -157.662601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.662601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.662601 (E_RNA)
where:
Base-Base interactions energy: -105.321
where: short stacking energy: -44.728
Base-Backbone interact. energy: -0.914
local terms energy: -51.426983
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -85.277460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.277460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.277460 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -33.163
Base-Backbone interact. energy: 0.273
local terms energy: -46.748476
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -6.501
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: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -80.478170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.478170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.478170 (E_RNA)
where:
Base-Base interactions energy: -19.344
where: short stacking energy: -12.847
Base-Backbone interact. energy: -0.068
local terms energy: -61.066753
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -11.792
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -71.240351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.240351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.240351 (E_RNA)
where:
Base-Base interactions energy: -25.382
where: short stacking energy: -9.988
Base-Backbone interact. energy: -0.790
local terms energy: -45.068186
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: 0.008
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: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -231.901040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.901040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.901040 (E_RNA)
where:
Base-Base interactions energy: -160.767
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.700
local terms energy: -70.434433
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -198.294961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.294961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.294961 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.409
local terms energy: -73.582754
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -19.249
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -193.826796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.826796 (E_RNA)
where:
Base-Base interactions energy: -122.991
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.192
local terms energy: -70.643475
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -202.508188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.508188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.508188 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -61.943
Base-Backbone interact. energy: 0.173
local terms energy: -77.588080
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -191.304283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.304283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.304283 (E_RNA)
where:
Base-Base interactions energy: -122.458
where: short stacking energy: -66.134
Base-Backbone interact. energy: -0.058
local terms energy: -68.789071
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -200.499190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.499190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.499190 (E_RNA)
where:
Base-Base interactions energy: -142.467
where: short stacking energy: -66.306
Base-Backbone interact. energy: -0.280
local terms energy: -57.752028
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -171.763232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.763232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.763232 (E_RNA)
where:
Base-Base interactions energy: -101.711
where: short stacking energy: -49.097
Base-Backbone interact. energy: -0.094
local terms energy: -69.958607
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -80.178100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.178100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.178100 (E_RNA)
where:
Base-Base interactions energy: -26.064
where: short stacking energy: -22.836
Base-Backbone interact. energy: -0.446
local terms energy: -53.667834
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -82.113638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113638 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.782
local terms energy: -50.529391
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -77.997260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997260 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -23.343
Base-Backbone interact. energy: 2.319
local terms energy: -48.603465
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -232.911720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.911720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.911720 (E_RNA)
where:
Base-Base interactions energy: -164.234
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.281
local terms energy: -68.396041
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -211.814303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.814303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.814303 (E_RNA)
where:
Base-Base interactions energy: -135.157
where: short stacking energy: -75.793
Base-Backbone interact. energy: -1.086
local terms energy: -75.571379
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -191.889249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.889249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.889249 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.049
local terms energy: -66.380215
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -215.241389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.241389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.241389 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.486
local terms energy: -72.708793
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -214.839732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.839732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.839732 (E_RNA)
where:
Base-Base interactions energy: -142.651
where: short stacking energy: -67.879
Base-Backbone interact. energy: -0.408
local terms energy: -71.780457
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -191.727022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.727022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.727022 (E_RNA)
where:
Base-Base interactions energy: -124.018
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.044
local terms energy: -67.664638
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -162.265064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.265064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.265064 (E_RNA)
where:
Base-Base interactions energy: -98.133
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.043
local terms energy: -64.089129
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -87.275793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.275793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.275793 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -30.416
Base-Backbone interact. energy: 1.699
local terms energy: -43.258473
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -87.610448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.610448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.610448 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.092
local terms energy: -52.694842
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.044680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.044680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.044680 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.172
local terms energy: -46.069003
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -233.408777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408777 (E_RNA)
where:
Base-Base interactions energy: -170.609
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.362
local terms energy: -62.437620
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -191.664394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.664394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664394 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.586
local terms energy: -65.065132
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -205.704461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.704461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.704461 (E_RNA)
where:
Base-Base interactions energy: -129.663
where: short stacking energy: -62.077
Base-Backbone interact. energy: -1.934
local terms energy: -74.107787
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -201.334917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334917 (E_RNA)
where:
Base-Base interactions energy: -132.114
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.657
local terms energy: -68.564038
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -213.828767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828767 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.083
local terms energy: -67.567541
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -152.174723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.174723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.174723 (E_RNA)
where:
Base-Base interactions energy: -94.735
where: short stacking energy: -30.348
Base-Backbone interact. energy: -1.150
local terms energy: -56.290202
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.066
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: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -173.842370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.842370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.842370 (E_RNA)
where:
Base-Base interactions energy: -108.758
where: short stacking energy: -45.993
Base-Backbone interact. energy: -1.373
local terms energy: -63.711623
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -97.668620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.668620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.668620 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.279
local terms energy: -53.786919
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -87.492380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492380 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.096
local terms energy: -50.448979
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.643
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: 165
Temperature: 1.350000
Total energy: -90.163174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163174 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.006
local terms energy: -54.729295
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -238.300920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.300920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.300920 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.317
local terms energy: -72.179795
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -181.385165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.385165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.385165 (E_RNA)
where:
Base-Base interactions energy: -109.594
where: short stacking energy: -63.218
Base-Backbone interact. energy: 0.242
local terms energy: -72.032774
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -214.704676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.704676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.704676 (E_RNA)
where:
Base-Base interactions energy: -138.193
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.001
local terms energy: -76.510969
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -186.068894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.068894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.068894 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.311
local terms energy: -63.279970
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -12.697
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: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -215.798368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.798368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.798368 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.337
local terms energy: -71.972503
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -155.831467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.831467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.831467 (E_RNA)
where:
Base-Base interactions energy: -108.995
where: short stacking energy: -51.264
Base-Backbone interact. energy: -1.107
local terms energy: -45.729466
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -168.264283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264283 (E_RNA)
where:
Base-Base interactions energy: -102.059
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.012
local terms energy: -66.193499
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.404
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: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -84.905626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.905626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.905626 (E_RNA)
where:
Base-Base interactions energy: -26.368
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.080
local terms energy: -58.457778
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -8.534
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: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.772467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772467 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.207
local terms energy: -49.315599
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -116.763166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.763166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.763166 (E_RNA)
where:
Base-Base interactions energy: -61.039
where: short stacking energy: -37.037
Base-Backbone interact. energy: -1.163
local terms energy: -54.560889
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -5.657
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: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -233.638076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638076 (E_RNA)
where:
Base-Base interactions energy: -163.980
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.662
local terms energy: -68.996029
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -219.963782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.963782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.963782 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.691
local terms energy: -74.526780
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -192.361293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.361293 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.060
local terms energy: -73.084454
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -207.691177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.691177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.691177 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.254
local terms energy: -68.037248
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -179.463679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.463679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.463679 (E_RNA)
where:
Base-Base interactions energy: -112.609
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.029
local terms energy: -66.825087
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -13.034
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -174.495862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495862 (E_RNA)
where:
Base-Base interactions energy: -109.024
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.076
local terms energy: -65.396325
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -127.444388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.444388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.444388 (E_RNA)
where:
Base-Base interactions energy: -64.475
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.952
local terms energy: -62.017451
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -91.545745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545745 (E_RNA)
where:
Base-Base interactions energy: -32.656
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.965
local terms energy: -57.924142
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -82.019310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019310 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.098
local terms energy: -49.117469
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -106.914151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.914151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.914151 (E_RNA)
where:
Base-Base interactions energy: -57.965
where: short stacking energy: -29.864
Base-Backbone interact. energy: 0.081
local terms energy: -49.030631
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -230.996360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.996360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.996360 (E_RNA)
where:
Base-Base interactions energy: -166.985
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.300
local terms energy: -63.711933
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -223.217302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.217302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217302 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.163
local terms energy: -75.062322
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -213.006720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.006720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.006720 (E_RNA)
where:
Base-Base interactions energy: -144.434
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.120
local terms energy: -68.453386
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -170.967850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.967850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.967850 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -49.019
Base-Backbone interact. energy: 0.699
local terms energy: -64.210121
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.118
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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -161.241452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241452 (E_RNA)
where:
Base-Base interactions energy: -98.040
where: short stacking energy: -45.237
Base-Backbone interact. energy: -0.011
local terms energy: -63.190606
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -154.442668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.442668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.442668 (E_RNA)
where:
Base-Base interactions energy: -95.368
where: short stacking energy: -43.841
Base-Backbone interact. energy: -0.251
local terms energy: -58.824492
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -101.544628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.544628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.544628 (E_RNA)
where:
Base-Base interactions energy: -42.585
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.094
local terms energy: -58.866336
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -79.844731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.844731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.844731 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -30.793
Base-Backbone interact. energy: 0.913
local terms energy: -49.725594
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -88.510793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.510793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.510793 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.101
local terms energy: -56.310439
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -11.563
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: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -83.096275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096275 (E_RNA)
where:
Base-Base interactions energy: -27.706
where: short stacking energy: -27.681
Base-Backbone interact. energy: 0.628
local terms energy: -56.018917
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -233.373234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.373234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.373234 (E_RNA)
where:
Base-Base interactions energy: -167.441
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.868
local terms energy: -65.063747
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -216.604477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.604477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.604477 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.383
local terms energy: -69.152404
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -216.012316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.012316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.012316 (E_RNA)
where:
Base-Base interactions energy: -146.229
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.362
local terms energy: -69.421745
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -189.015886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.015886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.015886 (E_RNA)
where:
Base-Base interactions energy: -123.821
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.494
local terms energy: -64.700607
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -163.228853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.228853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.228853 (E_RNA)
where:
Base-Base interactions energy: -107.166
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.111
local terms energy: -55.951463
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -157.969656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.969656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.969656 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -50.054
Base-Backbone interact. energy: 0.917
local terms energy: -63.372039
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -9.595
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -91.681007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.681007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.681007 (E_RNA)
where:
Base-Base interactions energy: -36.116
where: short stacking energy: -36.116
Base-Backbone interact. energy: -0.055
local terms energy: -55.510019
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -83.176059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176059 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.038
local terms energy: -53.516472
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -81.125620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.125620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.125620 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -37.453
Base-Backbone interact. energy: 0.638
local terms energy: -43.840336
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -7.175
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: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -83.310452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.310452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.310452 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.169
local terms energy: -41.736433
where:
bonds (distance) C4'-P energy: -4.779
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -226.816150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.816150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.816150 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.272
local terms energy: -78.903201
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -234.794943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.794943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.794943 (E_RNA)
where:
Base-Base interactions energy: -163.533
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.074
local terms energy: -71.187140
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.867
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: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -209.719511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719511 (E_RNA)
where:
Base-Base interactions energy: -139.988
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.897
local terms energy: -68.835215
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -181.199591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.199591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.199591 (E_RNA)
where:
Base-Base interactions energy: -116.821
where: short stacking energy: -51.798
Base-Backbone interact. energy: 0.930
local terms energy: -65.308408
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -159.920375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.920375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.920375 (E_RNA)
where:
Base-Base interactions energy: -92.897
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.347
local terms energy: -66.676635
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -156.499597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.499597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.499597 (E_RNA)
where:
Base-Base interactions energy: -98.167
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.392
local terms energy: -57.940288
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -101.966665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966665 (E_RNA)
where:
Base-Base interactions energy: -53.833
where: short stacking energy: -35.152
Base-Backbone interact. energy: 0.666
local terms energy: -48.800045
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -87.126797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.126797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.126797 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.027
local terms energy: -50.613214
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -87.837189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.837189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.837189 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.723
local terms energy: -54.023906
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -85.309307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.309307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.309307 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -24.184
Base-Backbone interact. energy: 1.301
local terms energy: -47.161273
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -223.828210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.828210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.828210 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.108
local terms energy: -73.116103
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.347
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: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -215.840238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840238 (E_RNA)
where:
Base-Base interactions energy: -142.030
where: short stacking energy: -66.828
Base-Backbone interact. energy: 0.406
local terms energy: -74.217106
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -214.419778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.419778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.419778 (E_RNA)
where:
Base-Base interactions energy: -142.656
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.639
local terms energy: -71.124594
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -179.242129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.242129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242129 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.125
local terms energy: -66.897778
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -173.065605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.065605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.065605 (E_RNA)
where:
Base-Base interactions energy: -109.483
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.119
local terms energy: -63.464465
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -171.493778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.493778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.493778 (E_RNA)
where:
Base-Base interactions energy: -113.478
where: short stacking energy: -47.580
Base-Backbone interact. energy: -0.041
local terms energy: -57.974262
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.162
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: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -96.431386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.431386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.431386 (E_RNA)
where:
Base-Base interactions energy: -41.825
where: short stacking energy: -39.139
Base-Backbone interact. energy: 0.857
local terms energy: -55.463690
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -93.639019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.639019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.639019 (E_RNA)
where:
Base-Base interactions energy: -40.456
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.064
local terms energy: -53.119522
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -79.910884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.910884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.910884 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.049
local terms energy: -46.922926
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -75.733968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733968 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -28.405
Base-Backbone interact. energy: -0.201
local terms energy: -46.039291
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -5.274
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -4.624
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: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -222.893464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.893464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.893464 (E_RNA)
where:
Base-Base interactions energy: -146.712
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.437
local terms energy: -75.745066
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -21.251
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: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -220.899257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.899257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.899257 (E_RNA)
where:
Base-Base interactions energy: -144.064
where: short stacking energy: -58.711
Base-Backbone interact. energy: -0.587
local terms energy: -76.248878
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -187.474664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.474664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.474664 (E_RNA)
where:
Base-Base interactions energy: -116.179
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.772
local terms energy: -70.523492
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -211.144261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.144261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.144261 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.867
local terms energy: -66.733453
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -161.254369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.254369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.254369 (E_RNA)
where:
Base-Base interactions energy: -92.826
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.005
local terms energy: -68.423968
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -165.152833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.152833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.152833 (E_RNA)
where:
Base-Base interactions energy: -99.886
where: short stacking energy: -51.345
Base-Backbone interact. energy: -0.692
local terms energy: -64.574703
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.644
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: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -95.768590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.768590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.768590 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.109
local terms energy: -59.359096
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.258
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -86.897921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897921 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.082
local terms energy: -53.557396
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -75.208725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208725 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -23.154
Base-Backbone interact. energy: 0.199
local terms energy: -48.861645
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -11.109
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: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -89.646923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646923 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.026
local terms energy: -60.686956
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -223.448777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.448777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.448777 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -66.011
Base-Backbone interact. energy: -0.011
local terms energy: -82.577544
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -23.105
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: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -230.426915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.426915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426915 (E_RNA)
where:
Base-Base interactions energy: -157.456
where: short stacking energy: -71.255
Base-Backbone interact. energy: -0.371
local terms energy: -72.600462
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -212.942073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.942073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.942073 (E_RNA)
where:
Base-Base interactions energy: -132.153
where: short stacking energy: -64.456
Base-Backbone interact. energy: -1.055
local terms energy: -79.733638
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -224.636974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.636974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.636974 (E_RNA)
where:
Base-Base interactions energy: -154.445
where: short stacking energy: -58.719
Base-Backbone interact. energy: 1.124
local terms energy: -71.315113
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.967
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: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -168.834545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.834545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.834545 (E_RNA)
where:
Base-Base interactions energy: -106.507
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.323
local terms energy: -62.004057
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -182.407619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.407619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.407619 (E_RNA)
where:
Base-Base interactions energy: -112.405
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.028
local terms energy: -69.974634
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.731
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: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -90.530649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530649 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.132
local terms energy: -58.158297
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -98.215105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.215105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.215105 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.121
local terms energy: -49.667930
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -94.798083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798083 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -22.035
Base-Backbone interact. energy: 2.612
local terms energy: -53.093442
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -4.157
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: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -79.767994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767994 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -17.942
Base-Backbone interact. energy: 1.289
local terms energy: -49.626868
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -219.343152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343152 (E_RNA)
where:
Base-Base interactions energy: -147.504
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.202
local terms energy: -71.636713
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -223.050882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.050882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.050882 (E_RNA)
where:
Base-Base interactions energy: -145.268
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.098
local terms energy: -77.685410
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.229
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -208.400861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.400861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.400861 (E_RNA)
where:
Base-Base interactions energy: -141.784
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.215
local terms energy: -66.401912
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -225.327905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.327905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.327905 (E_RNA)
where:
Base-Base interactions energy: -163.272
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.676
local terms energy: -61.379610
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -11.700
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: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -173.972819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.972819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.972819 (E_RNA)
where:
Base-Base interactions energy: -104.381
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.799
local terms energy: -68.792969
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -190.382393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.382393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.382393 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.001
local terms energy: -69.412886
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -9.653
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: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -103.307706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.307706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.307706 (E_RNA)
where:
Base-Base interactions energy: -43.100
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.190
local terms energy: -60.017425
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.209875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.209875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.209875 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.342
local terms energy: -53.936226
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -78.767950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.767950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.767950 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -16.859
Base-Backbone interact. energy: -0.747
local terms energy: -48.182471
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 4.513
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: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -78.387135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387135 (E_RNA)
where:
Base-Base interactions energy: -30.356
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.619
local terms energy: -47.412811
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -224.575474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.575474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.575474 (E_RNA)
where:
Base-Base interactions energy: -152.560
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.336
local terms energy: -71.678826
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -207.331787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.331787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.331787 (E_RNA)
where:
Base-Base interactions energy: -144.616
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.102
local terms energy: -62.613694
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -217.130479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130479 (E_RNA)
where:
Base-Base interactions energy: -142.912
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.138
local terms energy: -74.080282
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -20.011
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: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -216.899400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899400 (E_RNA)
where:
Base-Base interactions energy: -150.603
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.424
local terms energy: -65.872612
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -164.721941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.721941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.721941 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.383
local terms energy: -63.630137
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -179.259646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.259646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.259646 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -53.556
Base-Backbone interact. energy: -1.945
local terms energy: -66.168744
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -87.393223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393223 (E_RNA)
where:
Base-Base interactions energy: -40.526
where: short stacking energy: -39.318
Base-Backbone interact. energy: -0.156
local terms energy: -46.711321
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.807
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -87.794177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.794177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.794177 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.472
local terms energy: -51.266458
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -85.680233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680233 (E_RNA)
where:
Base-Base interactions energy: -44.216
where: short stacking energy: -44.216
Base-Backbone interact. energy: -0.082
local terms energy: -41.382006
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -6.938
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -86.271816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271816 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.029
local terms energy: -51.948006
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -5.720
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -226.247399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.247399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.247399 (E_RNA)
where:
Base-Base interactions energy: -149.700
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.389
local terms energy: -76.158698
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -205.662864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.662864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.662864 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.293
local terms energy: -76.253607
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -222.869219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869219 (E_RNA)
where:
Base-Base interactions energy: -161.171
where: short stacking energy: -60.986
Base-Backbone interact. energy: -0.182
local terms energy: -61.516117
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -203.051772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051772 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -63.573
Base-Backbone interact. energy: -0.599
local terms energy: -78.314037
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -170.054288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.054288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.054288 (E_RNA)
where:
Base-Base interactions energy: -102.404
where: short stacking energy: -39.379
Base-Backbone interact. energy: -0.178
local terms energy: -67.472463
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -171.651985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.651985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.651985 (E_RNA)
where:
Base-Base interactions energy: -107.808
where: short stacking energy: -55.496
Base-Backbone interact. energy: 1.226
local terms energy: -65.070348
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -11.042
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -84.299004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299004 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -29.516
Base-Backbone interact. energy: 0.580
local terms energy: -53.207481
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -84.488401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488401 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -31.573
Base-Backbone interact. energy: 0.047
local terms energy: -45.714775
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.990752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.990752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.990752 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.021
local terms energy: -46.132693
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -78.713496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713496 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.015
local terms energy: -50.585290
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -222.720410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720410 (E_RNA)
where:
Base-Base interactions energy: -151.197
where: short stacking energy: -66.431
Base-Backbone interact. energy: 0.671
local terms energy: -72.194248
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -227.870339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.870339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.870339 (E_RNA)
where:
Base-Base interactions energy: -161.727
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.353
local terms energy: -65.789863
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -199.639890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.639890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.639890 (E_RNA)
where:
Base-Base interactions energy: -122.876
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.052
local terms energy: -76.711795
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -210.638536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.638536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.638536 (E_RNA)
where:
Base-Base interactions energy: -140.477
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.164
local terms energy: -69.998450
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -7.583
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -180.393370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.393370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.393370 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.083
local terms energy: -68.068174
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -163.205736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.205736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.205736 (E_RNA)
where:
Base-Base interactions energy: -97.468
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.204
local terms energy: -65.533411
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -101.779143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.779143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.779143 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -41.329
Base-Backbone interact. energy: 1.401
local terms energy: -60.435284
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -84.731004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.731004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.731004 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -37.970
Base-Backbone interact. energy: -0.030
local terms energy: -46.730911
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -8.945
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -93.145446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145446 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -40.047
Base-Backbone interact. energy: 0.011
local terms energy: -52.832140
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -72.286075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.286075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.286075 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.162
local terms energy: -44.145326
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -238.828670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.828670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.828670 (E_RNA)
where:
Base-Base interactions energy: -169.345
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.341
local terms energy: -69.142193
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -219.801167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.801167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.801167 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.325
local terms energy: -75.983135
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -13.974
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: 178
Temperature: 1.000000
Total energy: -214.899093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.899093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.899093 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.121
local terms energy: -83.526642
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.797
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: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -184.799655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799655 (E_RNA)
where:
Base-Base interactions energy: -115.465
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.503
local terms energy: -68.832065
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -188.393027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.393027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.393027 (E_RNA)
where:
Base-Base interactions energy: -123.457
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.093
local terms energy: -64.842848
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -147.702896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.702896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.702896 (E_RNA)
where:
Base-Base interactions energy: -85.758
where: short stacking energy: -43.033
Base-Backbone interact. energy: -0.169
local terms energy: -61.776408
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.323
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -89.586136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.586136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.586136 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.396
local terms energy: -51.507236
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -6.312
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: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -83.170652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.170652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.170652 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -31.633
Base-Backbone interact. energy: 0.019
local terms energy: -47.481553
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -71.026669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.026669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.026669 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -12.184
Base-Backbone interact. energy: 0.715
local terms energy: -42.321635
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: 1.729
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: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -77.324232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.324232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.324232 (E_RNA)
where:
Base-Base interactions energy: -28.731
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.077
local terms energy: -48.516085
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: 1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -233.945365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.945365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.945365 (E_RNA)
where:
Base-Base interactions energy: -166.355
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.340
local terms energy: -67.250686
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -216.860802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860802 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.175
local terms energy: -68.217217
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -214.368443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.368443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.368443 (E_RNA)
where:
Base-Base interactions energy: -140.017
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.000
local terms energy: -74.351345
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -186.147248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.147248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.147248 (E_RNA)
where:
Base-Base interactions energy: -117.162
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.025
local terms energy: -68.960798
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -19.789
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: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -186.001610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.001610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.001610 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.011
local terms energy: -71.111101
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -177.190152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.190152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.190152 (E_RNA)
where:
Base-Base interactions energy: -109.884
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.068
local terms energy: -67.237326
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -91.331730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.331730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.331730 (E_RNA)
where:
Base-Base interactions energy: -42.565
where: short stacking energy: -32.097
Base-Backbone interact. energy: -0.120
local terms energy: -48.647355
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -93.976256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976256 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.166
local terms energy: -57.176500
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -82.867055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.867055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.867055 (E_RNA)
where:
Base-Base interactions energy: -36.909
where: short stacking energy: -22.313
Base-Backbone interact. energy: 0.854
local terms energy: -46.811589
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: 5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -82.003643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003643 (E_RNA)
where:
Base-Base interactions energy: -26.432
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.471
local terms energy: -55.100561
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -228.029237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.029237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.029237 (E_RNA)
where:
Base-Base interactions energy: -150.916
where: short stacking energy: -70.248
Base-Backbone interact. energy: -0.106
local terms energy: -77.006827
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -230.077153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.077153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.077153 (E_RNA)
where:
Base-Base interactions energy: -163.025
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.441
local terms energy: -66.611332
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -197.077787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.077787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.077787 (E_RNA)
where:
Base-Base interactions energy: -125.689
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.049
local terms energy: -71.339699
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -213.489462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.489462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.489462 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.375
local terms energy: -69.471031
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.548
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: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -199.732365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.732365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.732365 (E_RNA)
where:
Base-Base interactions energy: -131.139
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.052
local terms energy: -68.541557
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -176.621102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.621102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.621102 (E_RNA)
where:
Base-Base interactions energy: -103.271
where: short stacking energy: -58.328
Base-Backbone interact. energy: -0.103
local terms energy: -73.247350
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.524
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: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -88.090179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090179 (E_RNA)
where:
Base-Base interactions energy: -40.236
where: short stacking energy: -33.463
Base-Backbone interact. energy: 0.215
local terms energy: -48.068990
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -97.749072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.749072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.749072 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.588
local terms energy: -61.400536
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.318
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -85.721731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.721731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.721731 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -23.378
Base-Backbone interact. energy: 0.194
local terms energy: -49.532492
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -92.888896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.888896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.888896 (E_RNA)
where:
Base-Base interactions energy: -43.552
where: short stacking energy: -38.947
Base-Backbone interact. energy: -0.079
local terms energy: -49.257952
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -226.647200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.647200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.647200 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.171
local terms energy: -75.020141
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.381
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: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -226.971535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.971535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.971535 (E_RNA)
where:
Base-Base interactions energy: -162.867
where: short stacking energy: -63.828
Base-Backbone interact. energy: -0.305
local terms energy: -63.799182
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -201.300306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.300306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.300306 (E_RNA)
where:
Base-Base interactions energy: -126.409
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.607
local terms energy: -74.284648
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -203.735612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.735612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.735612 (E_RNA)
where:
Base-Base interactions energy: -134.069
where: short stacking energy: -72.681
Base-Backbone interact. energy: -0.538
local terms energy: -69.128384
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -177.671255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.671255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.671255 (E_RNA)
where:
Base-Base interactions energy: -110.442
where: short stacking energy: -56.472
Base-Backbone interact. energy: -0.021
local terms energy: -67.208207
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -162.948198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948198 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.113
local terms energy: -50.398182
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -92.796084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.796084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.796084 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -37.862
Base-Backbone interact. energy: 1.670
local terms energy: -53.994981
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -81.056486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.056486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.056486 (E_RNA)
where:
Base-Base interactions energy: -26.646
where: short stacking energy: -22.112
Base-Backbone interact. energy: 0.158
local terms energy: -54.568514
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -84.191440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.191440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.191440 (E_RNA)
where:
Base-Base interactions energy: -51.947
where: short stacking energy: -15.511
Base-Backbone interact. energy: -0.561
local terms energy: -31.683443
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: 8.290
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -90.887091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.887091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.887091 (E_RNA)
where:
Base-Base interactions energy: -42.056
where: short stacking energy: -37.952
Base-Backbone interact. energy: -1.422
local terms energy: -47.408253
where:
bonds (distance) C4'-P energy: -5.319
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -240.433071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.433071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.433071 (E_RNA)
where:
Base-Base interactions energy: -175.332
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.440
local terms energy: -64.661097
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -222.012678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012678 (E_RNA)
where:
Base-Base interactions energy: -149.898
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.127
local terms energy: -71.987475
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -217.563861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.563861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.563861 (E_RNA)
where:
Base-Base interactions energy: -141.176
where: short stacking energy: -72.129
Base-Backbone interact. energy: -0.041
local terms energy: -76.347178
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -192.530193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.530193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.530193 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -66.524
Base-Backbone interact. energy: 4.691
local terms energy: -66.665789
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -194.841434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.841434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.841434 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.120
local terms energy: -70.450803
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -173.087675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.087675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.087675 (E_RNA)
where:
Base-Base interactions energy: -104.539
where: short stacking energy: -49.274
Base-Backbone interact. energy: 0.349
local terms energy: -68.897737
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -94.102775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.102775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.102775 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.045
local terms energy: -61.181516
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -81.916145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.916145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.916145 (E_RNA)
where:
Base-Base interactions energy: -34.598
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.007
local terms energy: -47.311182
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: 0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -77.170959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.170959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.170959 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -29.984
Base-Backbone interact. energy: -0.066
local terms energy: -44.527119
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -82.515457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515457 (E_RNA)
where:
Base-Base interactions energy: -34.196
where: short stacking energy: -33.082
Base-Backbone interact. energy: 0.783
local terms energy: -49.102755
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -226.678761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.678761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.678761 (E_RNA)
where:
Base-Base interactions energy: -162.164
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.464
local terms energy: -64.051579
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.568
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: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -223.103813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.103813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.103813 (E_RNA)
where:
Base-Base interactions energy: -151.868
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.572
local terms energy: -70.663598
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -16.293
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -208.489750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.489750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.489750 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.315
local terms energy: -74.673820
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -188.694054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694054 (E_RNA)
where:
Base-Base interactions energy: -123.108
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.026
local terms energy: -65.560087
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -186.773633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.773633 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.314
local terms energy: -63.881206
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -12.158
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: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -166.333366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.333366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.333366 (E_RNA)
where:
Base-Base interactions energy: -96.130
where: short stacking energy: -52.206
Base-Backbone interact. energy: -0.720
local terms energy: -69.483644
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -97.379533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.379533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.379533 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -31.010
Base-Backbone interact. energy: 3.146
local terms energy: -56.844264
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -82.268381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268381 (E_RNA)
where:
Base-Base interactions energy: -27.789
where: short stacking energy: -27.191
Base-Backbone interact. energy: 0.619
local terms energy: -55.098612
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -86.078229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.078229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.078229 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.011
local terms energy: -56.649053
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -7.240
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: 183
Temperature: 1.350000
Total energy: -73.537162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.537162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.537162 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -31.176
Base-Backbone interact. energy: -0.236
local terms energy: -42.126042
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -223.551765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.551765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.551765 (E_RNA)
where:
Base-Base interactions energy: -150.414
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.096
local terms energy: -73.041530
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -216.005093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.005093 (E_RNA)
where:
Base-Base interactions energy: -146.365
where: short stacking energy: -69.815
Base-Backbone interact. energy: 0.639
local terms energy: -70.278747
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -201.778091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.778091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.778091 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -63.359
Base-Backbone interact. energy: -0.087
local terms energy: -75.583609
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -219.506236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.506236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.506236 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.723
local terms energy: -72.849664
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -167.392690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.392690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.392690 (E_RNA)
where:
Base-Base interactions energy: -102.307
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.158
local terms energy: -64.927185
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -163.230241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.230241 (E_RNA)
where:
Base-Base interactions energy: -101.243
where: short stacking energy: -44.603
Base-Backbone interact. energy: -0.201
local terms energy: -61.786916
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -89.713901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713901 (E_RNA)
where:
Base-Base interactions energy: -30.707
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.064
local terms energy: -58.942832
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -91.580303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.580303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.580303 (E_RNA)
where:
Base-Base interactions energy: -42.268
where: short stacking energy: -26.679
Base-Backbone interact. energy: -0.375
local terms energy: -48.937582
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -76.891735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.891735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.891735 (E_RNA)
where:
Base-Base interactions energy: -26.189
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.072
local terms energy: -50.630329
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -6.510
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: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -75.998627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998627 (E_RNA)
where:
Base-Base interactions energy: -23.689
where: short stacking energy: -21.033
Base-Backbone interact. energy: 0.116
local terms energy: -52.426058
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -228.671495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.671495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.671495 (E_RNA)
where:
Base-Base interactions energy: -154.779
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.177
local terms energy: -73.715613
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -17.019
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: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -194.969051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.969051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.969051 (E_RNA)
where:
Base-Base interactions energy: -130.382
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.015
local terms energy: -64.571414
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -13.300
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: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -221.444905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.444905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.444905 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -64.088
Base-Backbone interact. energy: -0.244
local terms energy: -71.544123
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -189.561362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.561362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.561362 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.122
local terms energy: -57.794806
where:
bonds (distance) C4'-P energy: -7.136
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -205.562485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.562485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.562485 (E_RNA)
where:
Base-Base interactions energy: -129.752
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.448
local terms energy: -75.362591
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -17.365
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -173.231017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.231017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.231017 (E_RNA)
where:
Base-Base interactions energy: -106.113
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.108
local terms energy: -67.010046
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -10.971
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -94.007979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.007979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.007979 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.192
local terms energy: -53.412431
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -9.635
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: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -83.174177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174177 (E_RNA)
where:
Base-Base interactions energy: -38.194
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.105
local terms energy: -44.874470
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -90.535649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.535649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.535649 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.059
local terms energy: -46.101242
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -97.555625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.555625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.555625 (E_RNA)
where:
Base-Base interactions energy: -55.018
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.239
local terms energy: -42.298375
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -225.819304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.819304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.819304 (E_RNA)
where:
Base-Base interactions energy: -153.563
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.277
local terms energy: -71.979616
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -199.623230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.623230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.623230 (E_RNA)
where:
Base-Base interactions energy: -123.241
where: short stacking energy: -67.979
Base-Backbone interact. energy: -0.188
local terms energy: -76.193826
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -11.241
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: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -209.036217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.036217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.036217 (E_RNA)
where:
Base-Base interactions energy: -151.837
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.607
local terms energy: -56.591947
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -186.236353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.236353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.236353 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.030
local terms energy: -66.994901
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -11.780
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: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -205.004504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.004504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.004504 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.074
local terms energy: -67.014550
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -149.672108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.672108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.672108 (E_RNA)
where:
Base-Base interactions energy: -95.837
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.062
local terms energy: -53.772940
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -98.888519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.888519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.888519 (E_RNA)
where:
Base-Base interactions energy: -41.343
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.040
local terms energy: -57.505857
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -88.074499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.074499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.074499 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.188
local terms energy: -55.645980
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -108.473051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.473051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.473051 (E_RNA)
where:
Base-Base interactions energy: -51.165
where: short stacking energy: -30.124
Base-Backbone interact. energy: 0.846
local terms energy: -58.153501
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.985294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985294 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.242
local terms energy: -44.510064
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: 3.656
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: 187
Temperature: 0.900000
Total energy: -221.795575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795575 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -65.708
Base-Backbone interact. energy: -0.168
local terms energy: -75.792258
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -228.643060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.643060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.643060 (E_RNA)
where:
Base-Base interactions energy: -155.964
where: short stacking energy: -70.108
Base-Backbone interact. energy: -0.419
local terms energy: -72.259838
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.975
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: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -182.925555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.925555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.925555 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.511
local terms energy: -64.965310
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -199.788703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.788703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.788703 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.737
local terms energy: -64.612328
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -172.018355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018355 (E_RNA)
where:
Base-Base interactions energy: -110.643
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.006
local terms energy: -61.369329
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -157.280695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.280695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.280695 (E_RNA)
where:
Base-Base interactions energy: -92.400
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.292
local terms energy: -64.588584
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -10.796
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: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -96.207661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207661 (E_RNA)
where:
Base-Base interactions energy: -43.528
where: short stacking energy: -34.255
Base-Backbone interact. energy: -0.002
local terms energy: -52.677536
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -92.886196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.886196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.886196 (E_RNA)
where:
Base-Base interactions energy: -44.495
where: short stacking energy: -42.701
Base-Backbone interact. energy: -0.091
local terms energy: -48.300203
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -79.042194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.042194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.042194 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.067
local terms energy: -44.014993
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -83.156284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156284 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.126
local terms energy: -46.965540
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -233.380900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.380900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.380900 (E_RNA)
where:
Base-Base interactions energy: -150.851
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.380
local terms energy: -82.149691
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -222.244263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.244263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.244263 (E_RNA)
where:
Base-Base interactions energy: -145.652
where: short stacking energy: -62.977
Base-Backbone interact. energy: 0.243
local terms energy: -76.835501
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -197.013904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.013904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.013904 (E_RNA)
where:
Base-Base interactions energy: -126.437
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.813
local terms energy: -69.763749
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -205.780747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780747 (E_RNA)
where:
Base-Base interactions energy: -145.772
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.147
local terms energy: -59.861536
where:
bonds (distance) C4'-P energy: -4.385
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -144.528993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.528993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.528993 (E_RNA)
where:
Base-Base interactions energy: -98.275
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.204
local terms energy: -46.049875
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.611
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: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -158.312047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.312047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.312047 (E_RNA)
where:
Base-Base interactions energy: -101.954
where: short stacking energy: -44.595
Base-Backbone interact. energy: -0.288
local terms energy: -56.070538
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -96.117014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.117014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.117014 (E_RNA)
where:
Base-Base interactions energy: -39.071
where: short stacking energy: -30.512
Base-Backbone interact. energy: -0.115
local terms energy: -56.931798
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -3.938
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: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -90.635312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635312 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.045
local terms energy: -52.635342
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -83.063693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.063693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.063693 (E_RNA)
where:
Base-Base interactions energy: -44.818
where: short stacking energy: -30.647
Base-Backbone interact. energy: -0.202
local terms energy: -38.043254
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: 0.647
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: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -95.465135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465135 (E_RNA)
where:
Base-Base interactions energy: -51.908
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.182
local terms energy: -43.374995
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: 3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -231.507005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.507005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.507005 (E_RNA)
where:
Base-Base interactions energy: -151.102
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.523
local terms energy: -79.881967
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -13.197
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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -226.184706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.184706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.184706 (E_RNA)
where:
Base-Base interactions energy: -153.770
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.226
local terms energy: -72.188204
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -200.895272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.895272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.895272 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.027
local terms energy: -80.249510
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -173.273527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.273527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.273527 (E_RNA)
where:
Base-Base interactions energy: -114.548
where: short stacking energy: -44.449
Base-Backbone interact. energy: -0.254
local terms energy: -58.471833
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -198.087021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.087021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.087021 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.073
local terms energy: -66.284181
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -168.581161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.581161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.581161 (E_RNA)
where:
Base-Base interactions energy: -107.044
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.026
local terms energy: -61.511231
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -96.046785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046785 (E_RNA)
where:
Base-Base interactions energy: -41.839
where: short stacking energy: -35.478
Base-Backbone interact. energy: 0.306
local terms energy: -54.514232
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -82.388438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.388438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.388438 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -27.256
Base-Backbone interact. energy: -1.125
local terms energy: -52.911302
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -83.291531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291531 (E_RNA)
where:
Base-Base interactions energy: -23.407
where: short stacking energy: -23.407
Base-Backbone interact. energy: -0.039
local terms energy: -59.845384
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -83.890398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.890398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.890398 (E_RNA)
where:
Base-Base interactions energy: -28.996
where: short stacking energy: -28.996
Base-Backbone interact. energy: -0.131
local terms energy: -54.763284
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -11.580
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: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -228.299401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.299401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.299401 (E_RNA)
where:
Base-Base interactions energy: -153.848
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.290
local terms energy: -74.161672
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.812
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: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -222.642174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.642174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.642174 (E_RNA)
where:
Base-Base interactions energy: -151.319
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.118
local terms energy: -71.205323
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -17.534
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: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -183.177858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.177858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.177858 (E_RNA)
where:
Base-Base interactions energy: -109.020
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.507
local terms energy: -73.651498
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -190.696936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696936 (E_RNA)
where:
Base-Base interactions energy: -120.836
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.623
local terms energy: -69.237267
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -192.614553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.614553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.614553 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.005
local terms energy: -66.842043
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -185.242972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.242972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.242972 (E_RNA)
where:
Base-Base interactions energy: -125.459
where: short stacking energy: -62.898
Base-Backbone interact. energy: -0.043
local terms energy: -59.740689
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -95.096452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.096452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.096452 (E_RNA)
where:
Base-Base interactions energy: -38.860
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.061
local terms energy: -56.175984
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -76.824449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824449 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -27.307
Base-Backbone interact. energy: -0.104
local terms energy: -44.175587
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.575522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575522 (E_RNA)
where:
Base-Base interactions energy: -39.637
where: short stacking energy: -23.485
Base-Backbone interact. energy: -0.232
local terms energy: -38.707018
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: 4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -84.654704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654704 (E_RNA)
where:
Base-Base interactions energy: -32.060
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.452
local terms energy: -52.142190
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -226.038384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.038384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.038384 (E_RNA)
where:
Base-Base interactions energy: -153.031
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.188
local terms energy: -72.818794
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -226.103885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.103885 (E_RNA)
where:
Base-Base interactions energy: -153.026
where: short stacking energy: -67.529
Base-Backbone interact. energy: 2.006
local terms energy: -75.084133
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -14.592
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: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -205.517246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.517246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.517246 (E_RNA)
where:
Base-Base interactions energy: -134.789
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.784
local terms energy: -69.943659
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -12.267
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: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -215.905860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.905860 (E_RNA)
where:
Base-Base interactions energy: -143.067
where: short stacking energy: -60.759
Base-Backbone interact. energy: -1.465
local terms energy: -71.373795
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -14.429
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: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -184.277577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.277577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.277577 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.016
local terms energy: -67.780000
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -186.236127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.236127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.236127 (E_RNA)
where:
Base-Base interactions energy: -116.500
where: short stacking energy: -48.322
Base-Backbone interact. energy: -0.351
local terms energy: -69.385928
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -14.330
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: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -96.730369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.730369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.730369 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.139
local terms energy: -61.165894
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -11.624
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: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -98.519875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.519875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.519875 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.010
local terms energy: -55.660793
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -82.710827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.710827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.710827 (E_RNA)
where:
Base-Base interactions energy: -33.247
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.207
local terms energy: -49.256785
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -80.126581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126581 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -39.359
Base-Backbone interact. energy: 0.603
local terms energy: -41.997977
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -4.709
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: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -225.245936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.245936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.245936 (E_RNA)
where:
Base-Base interactions energy: -149.844
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.483
local terms energy: -74.919518
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -215.447826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.447826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.447826 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.320
local terms energy: -70.571775
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -199.134747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134747 (E_RNA)
where:
Base-Base interactions energy: -132.035
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.279
local terms energy: -66.820748
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -18.425
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: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -207.485877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.485877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.485877 (E_RNA)
where:
Base-Base interactions energy: -136.076
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.660
local terms energy: -70.749218
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -175.106907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.106907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.106907 (E_RNA)
where:
Base-Base interactions energy: -112.603
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.066
local terms energy: -62.437147
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -169.866716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.866716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.866716 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -49.813
Base-Backbone interact. energy: -0.219
local terms energy: -56.987016
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -125.553690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.553690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.553690 (E_RNA)
where:
Base-Base interactions energy: -73.391
where: short stacking energy: -42.607
Base-Backbone interact. energy: 1.348
local terms energy: -53.510423
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -5.047
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: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -95.365712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.365712 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.141
local terms energy: -52.924283
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -75.862682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.862682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.862682 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -23.020
Base-Backbone interact. energy: -0.247
local terms energy: -45.926578
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -90.490467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.490467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.490467 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -34.761
Base-Backbone interact. energy: -1.030
local terms energy: -50.945175
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -4.778
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: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -234.086086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.086086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.086086 (E_RNA)
where:
Base-Base interactions energy: -159.995
where: short stacking energy: -72.863
Base-Backbone interact. energy: -0.663
local terms energy: -73.427518
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -216.908407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.908407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.908407 (E_RNA)
where:
Base-Base interactions energy: -152.290
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.565
local terms energy: -64.054214
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -197.811137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.811137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.811137 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.954
local terms energy: -72.248767
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -11.839
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: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -213.577588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.577588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.577588 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -74.616
Base-Backbone interact. energy: -0.019
local terms energy: -77.809682
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -194.851058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.851058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.851058 (E_RNA)
where:
Base-Base interactions energy: -127.586
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.573
local terms energy: -66.692034
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -183.645676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645676 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -50.477
Base-Backbone interact. energy: -0.239
local terms energy: -59.271605
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -90.115120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115120 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -30.051
Base-Backbone interact. energy: -0.030
local terms energy: -46.011603
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -80.261811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261811 (E_RNA)
where:
Base-Base interactions energy: -26.805
where: short stacking energy: -26.805
Base-Backbone interact. energy: 0.531
local terms energy: -53.988410
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -82.616300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.616300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.616300 (E_RNA)
where:
Base-Base interactions energy: -40.556
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.182
local terms energy: -41.879226
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -83.447926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.447926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.447926 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.053
local terms energy: -42.973828
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -229.070226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.070226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.070226 (E_RNA)
where:
Base-Base interactions energy: -157.618
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.941
local terms energy: -70.511223
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -221.909160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.909160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.909160 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.159
local terms energy: -78.887259
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -204.423496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.423496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.423496 (E_RNA)
where:
Base-Base interactions energy: -124.884
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.414
local terms energy: -79.125805
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -178.102983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.102983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.102983 (E_RNA)
where:
Base-Base interactions energy: -110.795
where: short stacking energy: -56.030
Base-Backbone interact. energy: -0.152
local terms energy: -67.156162
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -13.156
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: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -201.768507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.768507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.768507 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.010
local terms energy: -64.766153
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -18.039
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: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -181.298130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.298130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.298130 (E_RNA)
where:
Base-Base interactions energy: -116.078
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.010
local terms energy: -65.210823
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -121.514253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.514253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.514253 (E_RNA)
where:
Base-Base interactions energy: -65.141
where: short stacking energy: -26.045
Base-Backbone interact. energy: 0.036
local terms energy: -56.409301
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -11.777
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -84.902116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902116 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.104
local terms energy: -39.552823
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: 3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -88.009685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.009685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.009685 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -31.855
Base-Backbone interact. energy: -1.081
local terms energy: -55.073661
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -82.394454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.394454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.394454 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.144
local terms energy: -51.989920
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -7.967
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: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -227.246811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.246811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.246811 (E_RNA)
where:
Base-Base interactions energy: -155.808
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.424
local terms energy: -71.015030
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -218.004439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.004439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.004439 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.181
local terms energy: -68.925182
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.681
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: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -196.866793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.866793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.866793 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.420
local terms energy: -71.844624
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -207.874968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.874968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.874968 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.001
local terms energy: -74.297737
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -182.307227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307227 (E_RNA)
where:
Base-Base interactions energy: -115.887
where: short stacking energy: -58.480
Base-Backbone interact. energy: -1.265
local terms energy: -65.155088
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -162.023483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.023483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.023483 (E_RNA)
where:
Base-Base interactions energy: -103.461
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.247
local terms energy: -58.315262
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -132.761928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.761928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.761928 (E_RNA)
where:
Base-Base interactions energy: -77.632
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.822
local terms energy: -54.307865
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.497
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: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -93.502890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502890 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -29.653
Base-Backbone interact. energy: -0.255
local terms energy: -53.743500
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -123.592668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.592668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.592668 (E_RNA)
where:
Base-Base interactions energy: -81.043
where: short stacking energy: -33.398
Base-Backbone interact. energy: -0.456
local terms energy: -42.094145
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -71.099110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.099110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.099110 (E_RNA)
where:
Base-Base interactions energy: -24.355
where: short stacking energy: -19.952
Base-Backbone interact. energy: -0.198
local terms energy: -46.546440
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -224.720172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.720172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.720172 (E_RNA)
where:
Base-Base interactions energy: -149.706
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.153
local terms energy: -74.860542
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -232.446809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.446809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.446809 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -72.023
Base-Backbone interact. energy: -0.961
local terms energy: -70.057581
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -209.931470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931470 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -68.361
Base-Backbone interact. energy: -0.332
local terms energy: -73.264937
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -193.783162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.783162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.783162 (E_RNA)
where:
Base-Base interactions energy: -123.402
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.004
local terms energy: -70.377085
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -162.440495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.440495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.440495 (E_RNA)
where:
Base-Base interactions energy: -98.955
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.114
local terms energy: -63.371470
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -11.849
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -175.450229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.450229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.450229 (E_RNA)
where:
Base-Base interactions energy: -106.326
where: short stacking energy: -53.628
Base-Backbone interact. energy: -0.003
local terms energy: -69.120488
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -99.732047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732047 (E_RNA)
where:
Base-Base interactions energy: -54.995
where: short stacking energy: -28.485
Base-Backbone interact. energy: -0.624
local terms energy: -44.113223
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -10.718
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: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -84.589784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.589784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.589784 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -26.035
Base-Backbone interact. energy: -0.172
local terms energy: -49.385517
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -10.308
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: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -121.167362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.167362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.167362 (E_RNA)
where:
Base-Base interactions energy: -75.632
where: short stacking energy: -31.664
Base-Backbone interact. energy: -1.031
local terms energy: -44.504936
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -2.494
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -75.442416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.442416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.442416 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.035
local terms energy: -37.328220
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -10.374
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: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -229.403356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.403356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.403356 (E_RNA)
where:
Base-Base interactions energy: -156.030
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.507
local terms energy: -72.866261
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -226.594127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.594127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.594127 (E_RNA)
where:
Base-Base interactions energy: -152.663
where: short stacking energy: -67.451
Base-Backbone interact. energy: 0.912
local terms energy: -74.842953
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -17.056
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -196.917429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917429 (E_RNA)
where:
Base-Base interactions energy: -136.773
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.130
local terms energy: -60.014065
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -189.069324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.069324 (E_RNA)
where:
Base-Base interactions energy: -120.944
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.801
local terms energy: -67.323855
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -176.927277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.927277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.927277 (E_RNA)
where:
Base-Base interactions energy: -110.649
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.046
local terms energy: -66.232671
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -173.939709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.939709 (E_RNA)
where:
Base-Base interactions energy: -118.170
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.225
local terms energy: -55.544189
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -0.489
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -104.174803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.174803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.174803 (E_RNA)
where:
Base-Base interactions energy: -54.074
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.310
local terms energy: -49.790939
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -84.202731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.202731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.202731 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.026
local terms energy: -46.566760
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -6.556
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: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -87.783217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.783217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.783217 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.176
local terms energy: -50.891584
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -5.021
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: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -85.437716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437716 (E_RNA)
where:
Base-Base interactions energy: -34.861
where: short stacking energy: -34.861
Base-Backbone interact. energy: -0.440
local terms energy: -50.136416
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -2.545
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -233.250337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.250337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.250337 (E_RNA)
where:
Base-Base interactions energy: -159.432
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.289
local terms energy: -73.529582
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -228.821493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.821493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.821493 (E_RNA)
where:
Base-Base interactions energy: -152.125
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.507
local terms energy: -76.190210
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -195.048603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.048603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.048603 (E_RNA)
where:
Base-Base interactions energy: -124.841
where: short stacking energy: -65.123
Base-Backbone interact. energy: 0.504
local terms energy: -70.712001
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -20.279
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: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -205.319875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.319875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.319875 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.110
local terms energy: -71.032379
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -195.604768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.604768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.604768 (E_RNA)
where:
Base-Base interactions energy: -131.288
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.038
local terms energy: -64.279703
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -170.625973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.625973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.625973 (E_RNA)
where:
Base-Base interactions energy: -103.858
where: short stacking energy: -55.966
Base-Backbone interact. energy: -0.202
local terms energy: -66.565255
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.517
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: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -100.728812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728812 (E_RNA)
where:
Base-Base interactions energy: -54.028
where: short stacking energy: -31.010
Base-Backbone interact. energy: -0.350
local terms energy: -46.350269
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -103.377626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.377626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.377626 (E_RNA)
where:
Base-Base interactions energy: -49.007
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.179
local terms energy: -54.191210
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -89.485989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485989 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.216
local terms energy: -53.984262
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -78.885431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.885431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.885431 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.337
local terms energy: -47.984517
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -233.298916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.298916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.298916 (E_RNA)
where:
Base-Base interactions energy: -163.298
where: short stacking energy: -63.472
Base-Backbone interact. energy: 0.463
local terms energy: -70.463810
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -224.072883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.072883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.072883 (E_RNA)
where:
Base-Base interactions energy: -150.593
where: short stacking energy: -67.051
Base-Backbone interact. energy: 0.111
local terms energy: -73.590991
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -202.466596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.466596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.466596 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.550
local terms energy: -67.857009
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.089
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: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -207.784381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.784381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.784381 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -73.025
Base-Backbone interact. energy: -0.053
local terms energy: -68.887121
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -178.109294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.109294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.109294 (E_RNA)
where:
Base-Base interactions energy: -111.813
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.007
local terms energy: -66.289415
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -18.109
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: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -176.776233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.776233 (E_RNA)
where:
Base-Base interactions energy: -117.094
where: short stacking energy: -40.333
Base-Backbone interact. energy: -0.032
local terms energy: -59.650418
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -8.211
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: 199
Temperature: 1.200000
Total energy: -96.446900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.446900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.446900 (E_RNA)
where:
Base-Base interactions energy: -31.007
where: short stacking energy: -31.007
Base-Backbone interact. energy: -0.096
local terms energy: -65.344598
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -12.963
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: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -76.161219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.161219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.161219 (E_RNA)
where:
Base-Base interactions energy: -27.321
where: short stacking energy: -13.473
Base-Backbone interact. energy: -0.403
local terms energy: -48.437170
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: 5.173
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: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -88.602989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602989 (E_RNA)
where:
Base-Base interactions energy: -46.224
where: short stacking energy: -18.122
Base-Backbone interact. energy: -1.392
local terms energy: -40.987236
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -5.014
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -84.110414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110414 (E_RNA)
where:
Base-Base interactions energy: -46.030
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.934
local terms energy: -37.147038
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -4.927
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -233.319345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.319345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.319345 (E_RNA)
where:
Base-Base interactions energy: -165.374
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.388
local terms energy: -67.557085
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.377
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: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -222.153076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.153076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.153076 (E_RNA)
where:
Base-Base interactions energy: -151.589
where: short stacking energy: -69.938
Base-Backbone interact. energy: -0.426
local terms energy: -70.138195
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -10.515
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: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -204.660304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.660304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.660304 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -65.074
Base-Backbone interact. energy: 0.010
local terms energy: -73.869935
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -199.124750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.124750 (E_RNA)
where:
Base-Base interactions energy: -136.918
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.073
local terms energy: -62.133513
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -3.902
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: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -192.273233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273233 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -49.070
Base-Backbone interact. energy: -0.183
local terms energy: -66.901983
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -178.902070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.902070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.902070 (E_RNA)
where:
Base-Base interactions energy: -114.778
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.017
local terms energy: -64.107508
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -99.810725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810725 (E_RNA)
where:
Base-Base interactions energy: -54.600
where: short stacking energy: -26.549
Base-Backbone interact. energy: 1.540
local terms energy: -46.750472
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -98.115603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115603 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.357
local terms energy: -59.654565
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -7.720
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: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.750442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.750442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.750442 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -19.796
Base-Backbone interact. energy: -1.247
local terms energy: -49.413020
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -77.680123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.680123 (E_RNA)
where:
Base-Base interactions energy: -23.863
where: short stacking energy: -17.175
Base-Backbone interact. energy: -0.213
local terms energy: -53.603832
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -237.274070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.274070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.274070 (E_RNA)
where:
Base-Base interactions energy: -171.002
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.256
local terms energy: -66.016297
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.223
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: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -223.564536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.564536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.564536 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.303
local terms energy: -79.916944
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -190.163758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.163758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.163758 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.095
local terms energy: -72.918380
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -197.131401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.131401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.131401 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.010
local terms energy: -73.383624
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -17.180
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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -213.047527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.047527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.047527 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.021
local terms energy: -64.716016
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -181.790478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.790478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.790478 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.420
local terms energy: -66.888197
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -93.153294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.153294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.153294 (E_RNA)
where:
Base-Base interactions energy: -46.911
where: short stacking energy: -31.133
Base-Backbone interact. energy: -1.639
local terms energy: -44.603257
where:
bonds (distance) C4'-P energy: -2.750
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -86.337224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.337224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.337224 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -41.438
Base-Backbone interact. energy: 0.887
local terms energy: -45.785749
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -79.439837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.439837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.439837 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -28.031
Base-Backbone interact. energy: 1.757
local terms energy: -47.012251
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -11.311
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: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -102.366443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.366443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.366443 (E_RNA)
where:
Base-Base interactions energy: -46.282
where: short stacking energy: -37.638
Base-Backbone interact. energy: -0.035
local terms energy: -56.049574
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.844
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: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -234.979963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.979963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.979963 (E_RNA)
where:
Base-Base interactions energy: -160.373
where: short stacking energy: -67.084
Base-Backbone interact. energy: -1.196
local terms energy: -73.411113
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -233.073912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.073912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.073912 (E_RNA)
where:
Base-Base interactions energy: -156.730
where: short stacking energy: -67.852
Base-Backbone interact. energy: -1.066
local terms energy: -75.278039
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -188.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.860393 (E_RNA)
where:
Base-Base interactions energy: -121.654
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.423
local terms energy: -66.783203
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -11.813
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -190.843556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.843556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.843556 (E_RNA)
where:
Base-Base interactions energy: -119.151
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.533
local terms energy: -71.159839
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -190.180140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.180140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.180140 (E_RNA)
where:
Base-Base interactions energy: -123.189
where: short stacking energy: -68.654
Base-Backbone interact. energy: -0.937
local terms energy: -66.053484
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -175.394478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.394478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.394478 (E_RNA)
where:
Base-Base interactions energy: -115.318
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.069
local terms energy: -60.007857
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -95.814350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814350 (E_RNA)
where:
Base-Base interactions energy: -41.806
where: short stacking energy: -14.535
Base-Backbone interact. energy: 1.678
local terms energy: -55.686369
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -100.446843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.446843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.446843 (E_RNA)
where:
Base-Base interactions energy: -54.409
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.049
local terms energy: -45.989557
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: 0.385
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: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -95.747854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747854 (E_RNA)
where:
Base-Base interactions energy: -53.018
where: short stacking energy: -34.210
Base-Backbone interact. energy: -0.535
local terms energy: -42.194963
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -6.805
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: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -82.860230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.860230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.860230 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.017
local terms energy: -43.653013
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -233.411806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.411806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.411806 (E_RNA)
where:
Base-Base interactions energy: -159.943
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.523
local terms energy: -72.945586
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -200.802934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.802934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.802934 (E_RNA)
where:
Base-Base interactions energy: -132.360
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.470
local terms energy: -67.973167
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -222.357846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.357846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.357846 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.962
local terms energy: -70.797524
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -189.676918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.676918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676918 (E_RNA)
where:
Base-Base interactions energy: -119.841
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.218
local terms energy: -69.617964
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.601
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: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -191.983089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.983089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.983089 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -66.163
Base-Backbone interact. energy: 0.135
local terms energy: -69.196247
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -152.543586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.543586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.543586 (E_RNA)
where:
Base-Base interactions energy: -90.485
where: short stacking energy: -45.729
Base-Backbone interact. energy: -0.055
local terms energy: -62.002928
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -92.360159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.360159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.360159 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -31.333
Base-Backbone interact. energy: -0.223
local terms energy: -46.579253
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -6.296
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: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -95.889107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.889107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.889107 (E_RNA)
where:
Base-Base interactions energy: -56.989
where: short stacking energy: -38.076
Base-Backbone interact. energy: 0.261
local terms energy: -39.161924
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: 5.427
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -78.749509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749509 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -27.298
Base-Backbone interact. energy: -0.067
local terms energy: -51.384010
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -78.458273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458273 (E_RNA)
where:
Base-Base interactions energy: -23.532
where: short stacking energy: -23.532
Base-Backbone interact. energy: -0.041
local terms energy: -54.884699
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -225.057650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057650 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -65.259
Base-Backbone interact. energy: -0.267
local terms energy: -70.683624
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -190.537050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.537050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.537050 (E_RNA)
where:
Base-Base interactions energy: -125.368
where: short stacking energy: -57.487
Base-Backbone interact. energy: 0.151
local terms energy: -65.319932
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -215.745990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.745990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.745990 (E_RNA)
where:
Base-Base interactions energy: -147.835
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.224
local terms energy: -67.687619
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -196.229244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.229244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.229244 (E_RNA)
where:
Base-Base interactions energy: -136.821
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.818
local terms energy: -58.589947
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -188.129708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.129708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.129708 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -63.469
Base-Backbone interact. energy: -0.236
local terms energy: -63.847561
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -15.705
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: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -158.946134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.946134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.946134 (E_RNA)
where:
Base-Base interactions energy: -104.120
where: short stacking energy: -45.981
Base-Backbone interact. energy: 0.870
local terms energy: -55.695908
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -118.913945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.913945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.913945 (E_RNA)
where:
Base-Base interactions energy: -70.375
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.025
local terms energy: -48.514568
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -0.696
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -82.681506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.681506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.681506 (E_RNA)
where:
Base-Base interactions energy: -30.662
where: short stacking energy: -30.662
Base-Backbone interact. energy: -0.281
local terms energy: -51.738429
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -87.271783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271783 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -14.115
Base-Backbone interact. energy: -0.412
local terms energy: -48.782330
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -83.600801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600801 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -25.450
Base-Backbone interact. energy: -0.281
local terms energy: -53.882045
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -224.664676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.664676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.664676 (E_RNA)
where:
Base-Base interactions energy: -150.775
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.235
local terms energy: -73.655170
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -225.619655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.619655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.619655 (E_RNA)
where:
Base-Base interactions energy: -155.700
where: short stacking energy: -53.250
Base-Backbone interact. energy: -0.944
local terms energy: -68.975740
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -204.400186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.400186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.400186 (E_RNA)
where:
Base-Base interactions energy: -131.020
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.013
local terms energy: -73.367206
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -207.816957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.816957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.816957 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.042
local terms energy: -79.432579
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -197.209457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.209457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209457 (E_RNA)
where:
Base-Base interactions energy: -125.481
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.406
local terms energy: -71.322227
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -161.554511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.554511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.554511 (E_RNA)
where:
Base-Base interactions energy: -102.391
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.497
local terms energy: -58.666511
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -8.471
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: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -127.855417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.855417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.855417 (E_RNA)
where:
Base-Base interactions energy: -71.085
where: short stacking energy: -33.873
Base-Backbone interact. energy: 0.064
local terms energy: -56.833637
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -84.455052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.455052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.455052 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -20.193
Base-Backbone interact. energy: -0.238
local terms energy: -43.127126
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -1.671
tors. eta vs tors. theta energy: -5.089
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: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -87.190870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190870 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -34.484
Base-Backbone interact. energy: 0.977
local terms energy: -49.045882
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -5.431
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: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -68.597350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.597350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.597350 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -24.582
Base-Backbone interact. energy: -0.990
local terms energy: -39.464240
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -213.525264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.525264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.525264 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.112
local terms energy: -66.353178
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -15.453
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: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -230.110086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.110086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.110086 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.433
local terms energy: -78.369888
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -199.033569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.033569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.033569 (E_RNA)
where:
Base-Base interactions energy: -119.975
where: short stacking energy: -63.184
Base-Backbone interact. energy: -0.145
local terms energy: -78.912619
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -191.463668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.463668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.463668 (E_RNA)
where:
Base-Base interactions energy: -118.386
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.105
local terms energy: -72.971958
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -197.016595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.016595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.016595 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.096
local terms energy: -75.859785
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -182.544619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.544619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.544619 (E_RNA)
where:
Base-Base interactions energy: -108.928
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.137
local terms energy: -73.479632
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -133.888710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.888710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.888710 (E_RNA)
where:
Base-Base interactions energy: -82.146
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.299
local terms energy: -51.442870
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -8.071
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -4.530
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: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -99.565618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.565618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.565618 (E_RNA)
where:
Base-Base interactions energy: -46.647
where: short stacking energy: -29.078
Base-Backbone interact. energy: 2.849
local terms energy: -55.767388
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -0.674
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -95.678120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678120 (E_RNA)
where:
Base-Base interactions energy: -49.824
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.035
local terms energy: -45.819768
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: 0.402
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: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -80.033470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.033470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.033470 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -30.097
Base-Backbone interact. energy: 1.534
local terms energy: -51.260115
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -216.581618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.581618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581618 (E_RNA)
where:
Base-Base interactions energy: -144.666
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.180
local terms energy: -71.735738
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -14.736
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -224.137037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137037 (E_RNA)
where:
Base-Base interactions energy: -146.282
where: short stacking energy: -70.780
Base-Backbone interact. energy: 1.743
local terms energy: -79.598538
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -200.265685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.265685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.265685 (E_RNA)
where:
Base-Base interactions energy: -128.642
where: short stacking energy: -65.982
Base-Backbone interact. energy: 0.454
local terms energy: -72.078210
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -202.773658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.773658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.773658 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.002
local terms energy: -76.539850
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -187.494980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.494980 (E_RNA)
where:
Base-Base interactions energy: -120.023
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.252
local terms energy: -67.219557
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -186.371616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.371616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.371616 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.802
local terms energy: -65.074227
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -84.907001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.907001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.907001 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -32.123
Base-Backbone interact. energy: -0.105
local terms energy: -48.695113
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -95.688013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688013 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.042
local terms energy: -59.518289
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -94.798640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798640 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -35.343
Base-Backbone interact. energy: -0.002
local terms energy: -59.453923
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -90.193174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.193174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.193174 (E_RNA)
where:
Base-Base interactions energy: -30.793
where: short stacking energy: -30.793
Base-Backbone interact. energy: -0.092
local terms energy: -59.308532
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -230.014951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.014951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.014951 (E_RNA)
where:
Base-Base interactions energy: -155.480
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.415
local terms energy: -74.119640
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -218.090179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.090179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.090179 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.108
local terms energy: -77.230364
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -215.577764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.577764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.577764 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -72.446
Base-Backbone interact. energy: -0.001
local terms energy: -76.139078
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -180.406540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.406540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.406540 (E_RNA)
where:
Base-Base interactions energy: -118.439
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.035
local terms energy: -61.932569
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -200.258486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.258486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.258486 (E_RNA)
where:
Base-Base interactions energy: -128.383
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.532
local terms energy: -71.343614
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -148.722453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.722453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.722453 (E_RNA)
where:
Base-Base interactions energy: -95.827
where: short stacking energy: -48.984
Base-Backbone interact. energy: 0.114
local terms energy: -53.009357
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -97.234078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.234078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.234078 (E_RNA)
where:
Base-Base interactions energy: -44.537
where: short stacking energy: -36.139
Base-Backbone interact. energy: -0.177
local terms energy: -52.520397
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -7.153
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: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -91.537132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.537132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.537132 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.246
local terms energy: -48.751082
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -7.074
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: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -80.292219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.292219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.292219 (E_RNA)
where:
Base-Base interactions energy: -35.538
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.446
local terms energy: -44.308197
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -76.621712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.621712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.621712 (E_RNA)
where:
Base-Base interactions energy: -30.761
where: short stacking energy: -30.761
Base-Backbone interact. energy: -0.183
local terms energy: -45.678266
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -3.463
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: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -226.957957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.957957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957957 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -66.710
Base-Backbone interact. energy: -0.155
local terms energy: -76.583458
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -215.398528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.398528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.398528 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.031
local terms energy: -76.106799
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -217.144800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.144800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.144800 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.208
local terms energy: -66.954036
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -16.405
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: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -183.341593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341593 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -49.642
Base-Backbone interact. energy: -0.203
local terms energy: -53.023603
where:
bonds (distance) C4'-P energy: -4.680
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -182.314896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.314896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.314896 (E_RNA)
where:
Base-Base interactions energy: -107.360
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.629
local terms energy: -74.325630
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -175.800384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.800384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.800384 (E_RNA)
where:
Base-Base interactions energy: -111.302
where: short stacking energy: -54.039
Base-Backbone interact. energy: -0.109
local terms energy: -64.389730
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.472
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: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -86.955552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955552 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -30.582
Base-Backbone interact. energy: 1.270
local terms energy: -56.831846
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -4.030
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: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -82.475309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.475309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.475309 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.015
local terms energy: -48.826166
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -4.002
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: 209
Temperature: 1.300000
Total energy: -83.664016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.664016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.664016 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -31.289
Base-Backbone interact. energy: 0.135
local terms energy: -47.257296
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -72.608162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.608162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.608162 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.364
local terms energy: -43.563768
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -227.216483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.216483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.216483 (E_RNA)
where:
Base-Base interactions energy: -150.190
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.420
local terms energy: -76.605798
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -19.225
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -214.189162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.189162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.189162 (E_RNA)
where:
Base-Base interactions energy: -143.585
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.130
local terms energy: -70.474372
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -209.970579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.970579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.970579 (E_RNA)
where:
Base-Base interactions energy: -142.399
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.259
local terms energy: -67.312963
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -191.572786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572786 (E_RNA)
where:
Base-Base interactions energy: -119.098
where: short stacking energy: -57.498
Base-Backbone interact. energy: -0.016
local terms energy: -72.458584
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -155.216794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.216794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.216794 (E_RNA)
where:
Base-Base interactions energy: -91.292
where: short stacking energy: -41.544
Base-Backbone interact. energy: -0.132
local terms energy: -63.792189
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -174.085623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.085623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.085623 (E_RNA)
where:
Base-Base interactions energy: -112.625
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.393
local terms energy: -61.067490
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -92.999350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999350 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -38.670
Base-Backbone interact. energy: -0.167
local terms energy: -54.162643
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -90.472154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472154 (E_RNA)
where:
Base-Base interactions energy: -37.228
where: short stacking energy: -34.073
Base-Backbone interact. energy: -0.167
local terms energy: -53.076595
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -4.649
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: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -78.723637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.723637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.723637 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.069
local terms energy: -48.611240
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -80.569701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.569701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.569701 (E_RNA)
where:
Base-Base interactions energy: -38.874
where: short stacking energy: -16.068
Base-Backbone interact. energy: -0.246
local terms energy: -41.449672
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.105
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -229.747171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.747171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.747171 (E_RNA)
where:
Base-Base interactions energy: -158.699
where: short stacking energy: -70.070
Base-Backbone interact. energy: 0.815
local terms energy: -71.862637
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -212.645784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645784 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.132
local terms energy: -75.724944
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -210.826124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.826124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.826124 (E_RNA)
where:
Base-Base interactions energy: -136.225
where: short stacking energy: -64.694
Base-Backbone interact. energy: 0.240
local terms energy: -74.841120
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -186.904416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904416 (E_RNA)
where:
Base-Base interactions energy: -120.764
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.122
local terms energy: -66.017837
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -192.085270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.085270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.085270 (E_RNA)
where:
Base-Base interactions energy: -125.718
where: short stacking energy: -66.050
Base-Backbone interact. energy: -1.057
local terms energy: -65.310990
where:
bonds (distance) C4'-P energy: -7.297
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -175.851590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.851590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.851590 (E_RNA)
where:
Base-Base interactions energy: -111.670
where: short stacking energy: -60.826
Base-Backbone interact. energy: 0.010
local terms energy: -64.191419
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -101.385180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.385180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.385180 (E_RNA)
where:
Base-Base interactions energy: -46.760
where: short stacking energy: -37.526
Base-Backbone interact. energy: -0.092
local terms energy: -54.533060
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -5.401
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -91.803658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.803658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.803658 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -38.767
Base-Backbone interact. energy: -0.110
local terms energy: -52.927392
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -92.270176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270176 (E_RNA)
where:
Base-Base interactions energy: -48.957
where: short stacking energy: -29.382
Base-Backbone interact. energy: 0.600
local terms energy: -43.913437
where:
bonds (distance) C4'-P energy: -7.111
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -74.380718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.380718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.380718 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.205
local terms energy: -44.194774
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -227.520288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.520288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.520288 (E_RNA)
where:
Base-Base interactions energy: -151.555
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.470
local terms energy: -75.495305
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -210.495218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.495218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.495218 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.191
local terms energy: -69.565091
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -11.670
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: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -218.464103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.464103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.464103 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -63.593
Base-Backbone interact. energy: 0.182
local terms energy: -74.424429
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -179.382357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.382357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.382357 (E_RNA)
where:
Base-Base interactions energy: -112.451
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.034
local terms energy: -66.897571
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -17.691
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: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -201.856431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.856431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.856431 (E_RNA)
where:
Base-Base interactions energy: -127.353
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.077
local terms energy: -74.426412
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -173.865671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.865671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.865671 (E_RNA)
where:
Base-Base interactions energy: -115.378
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.248
local terms energy: -58.240025
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -94.439266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439266 (E_RNA)
where:
Base-Base interactions energy: -40.873
where: short stacking energy: -39.547
Base-Backbone interact. energy: -0.000
local terms energy: -53.565603
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -77.322765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.322765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.322765 (E_RNA)
where:
Base-Base interactions energy: -17.657
where: short stacking energy: -17.047
Base-Backbone interact. energy: -0.140
local terms energy: -59.526394
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -136.715014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.715014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.715014 (E_RNA)
where:
Base-Base interactions energy: -84.708
where: short stacking energy: -41.525
Base-Backbone interact. energy: -0.631
local terms energy: -51.376663
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -79.344896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.344896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.344896 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.108
local terms energy: -48.951007
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -6.941
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -231.903426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.903426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.903426 (E_RNA)
where:
Base-Base interactions energy: -160.675
where: short stacking energy: -63.389
Base-Backbone interact. energy: 1.471
local terms energy: -72.699653
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -224.725728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.725728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.725728 (E_RNA)
where:
Base-Base interactions energy: -153.879
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.155
local terms energy: -70.692229
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -209.014853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.014853 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -71.940
Base-Backbone interact. energy: -1.828
local terms energy: -72.069538
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -196.656215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.656215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.656215 (E_RNA)
where:
Base-Base interactions energy: -125.729
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.653
local terms energy: -70.274311
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -19.894
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: 213
Temperature: 1.100000
Total energy: -189.919901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.919901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.919901 (E_RNA)
where:
Base-Base interactions energy: -121.407
where: short stacking energy: -55.772
Base-Backbone interact. energy: 1.360
local terms energy: -69.873077
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -173.855997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.855997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.855997 (E_RNA)
where:
Base-Base interactions energy: -101.247
where: short stacking energy: -58.395
Base-Backbone interact. energy: -0.002
local terms energy: -72.607671
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -16.293
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: 213
Temperature: 1.200000
Total energy: -98.718919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.718919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.718919 (E_RNA)
where:
Base-Base interactions energy: -48.010
where: short stacking energy: -48.010
Base-Backbone interact. energy: -0.085
local terms energy: -50.624155
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -6.348
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -81.751337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751337 (E_RNA)
where:
Base-Base interactions energy: -26.908
where: short stacking energy: -23.806
Base-Backbone interact. energy: 1.565
local terms energy: -56.408485
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -78.188043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188043 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.284
local terms energy: -50.568367
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.429
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: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -75.159596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.159596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.159596 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.086
local terms energy: -45.175455
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -222.582533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.582533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.582533 (E_RNA)
where:
Base-Base interactions energy: -152.602
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.209
local terms energy: -69.771608
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -224.255120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.255120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.255120 (E_RNA)
where:
Base-Base interactions energy: -152.638
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.207
local terms energy: -71.409674
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.576
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: 214
Temperature: 1.000000
Total energy: -218.396299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.396299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.396299 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.583
local terms energy: -72.705340
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -207.215178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.215178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215178 (E_RNA)
where:
Base-Base interactions energy: -133.896
where: short stacking energy: -68.416
Base-Backbone interact. energy: -0.028
local terms energy: -73.290864
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -190.181135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.181135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.181135 (E_RNA)
where:
Base-Base interactions energy: -115.225
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.067
local terms energy: -74.889516
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -155.559997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.559997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.559997 (E_RNA)
where:
Base-Base interactions energy: -98.568
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.111
local terms energy: -56.881059
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -11.669
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: 214
Temperature: 1.200000
Total energy: -96.064712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.064712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.064712 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.089
local terms energy: -58.680585
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -8.837
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: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -76.413129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413129 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -25.183
Base-Backbone interact. energy: -0.195
local terms energy: -46.700302
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -82.086798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.086798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.086798 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.497
local terms energy: -46.203292
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -76.355207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.355207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.355207 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -32.965
Base-Backbone interact. energy: -0.078
local terms energy: -36.237901
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -225.897901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.897901 (E_RNA)
where:
Base-Base interactions energy: -161.156
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.148
local terms energy: -64.593602
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -221.528115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.528115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.528115 (E_RNA)
where:
Base-Base interactions energy: -138.041
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.357
local terms energy: -83.130061
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -219.563480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.563480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.563480 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.422
local terms energy: -71.246293
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -197.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.243881 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -46.147
Base-Backbone interact. energy: -0.116
local terms energy: -73.390173
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -12.498
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: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -184.200374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.200374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.200374 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.025
local terms energy: -65.485589
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -152.222209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.222209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.222209 (E_RNA)
where:
Base-Base interactions energy: -91.971
where: short stacking energy: -45.972
Base-Backbone interact. energy: -0.072
local terms energy: -60.179406
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -92.815068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815068 (E_RNA)
where:
Base-Base interactions energy: -38.360
where: short stacking energy: -38.360
Base-Backbone interact. energy: -0.398
local terms energy: -54.056734
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -85.630436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.630436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.630436 (E_RNA)
where:
Base-Base interactions energy: -35.085
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.511
local terms energy: -50.034227
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -81.546594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.546594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.546594 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -23.464
Base-Backbone interact. energy: -1.312
local terms energy: -54.185501
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -82.612871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.612871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.612871 (E_RNA)
where:
Base-Base interactions energy: -33.117
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.074
local terms energy: -49.421803
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -230.141879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.141879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.141879 (E_RNA)
where:
Base-Base interactions energy: -159.994
where: short stacking energy: -69.052
Base-Backbone interact. energy: -0.284
local terms energy: -69.863409
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -214.405851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.405851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.405851 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.133
local terms energy: -77.302397
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.741
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: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -221.823172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.823172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.823172 (E_RNA)
where:
Base-Base interactions energy: -150.516
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.064
local terms energy: -71.242857
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -195.473084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.473084 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.157
local terms energy: -60.809821
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -180.180817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.180817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.180817 (E_RNA)
where:
Base-Base interactions energy: -121.136
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.068
local terms energy: -58.977566
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -164.278496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.278496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.278496 (E_RNA)
where:
Base-Base interactions energy: -107.730
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.099
local terms energy: -56.449274
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -12.135
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: 216
Temperature: 1.200000
Total energy: -87.147711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.147711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.147711 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.439
local terms energy: -50.710202
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.799
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: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -90.410664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.410664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.410664 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.131
local terms energy: -57.503276
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.974
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: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -81.545479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545479 (E_RNA)
where:
Base-Base interactions energy: -26.305
where: short stacking energy: -21.376
Base-Backbone interact. energy: -0.258
local terms energy: -54.982381
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: 2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -74.758545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758545 (E_RNA)
where:
Base-Base interactions energy: -26.069
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.181
local terms energy: -48.508932
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -220.987230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.987230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.987230 (E_RNA)
where:
Base-Base interactions energy: -149.919
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.166
local terms energy: -70.902229
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -16.763
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: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -231.110552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.110552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.110552 (E_RNA)
where:
Base-Base interactions energy: -154.885
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.540
local terms energy: -75.685326
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -208.921225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.921225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.921225 (E_RNA)
where:
Base-Base interactions energy: -139.674
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.399
local terms energy: -68.847242
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -18.802
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: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -205.926795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.926795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.926795 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.698
local terms energy: -79.822646
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -179.240213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.240213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.240213 (E_RNA)
where:
Base-Base interactions energy: -112.006
where: short stacking energy: -51.598
Base-Backbone interact. energy: -0.266
local terms energy: -66.968093
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -168.172998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.172998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.172998 (E_RNA)
where:
Base-Base interactions energy: -107.552
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.287
local terms energy: -60.333989
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -5.497
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -97.960064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960064 (E_RNA)
where:
Base-Base interactions energy: -42.717
where: short stacking energy: -42.717
Base-Backbone interact. energy: 0.226
local terms energy: -55.468778
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -79.815907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.815907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.815907 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -28.447
Base-Backbone interact. energy: -0.984
local terms energy: -49.273470
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -86.294701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.294701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.294701 (E_RNA)
where:
Base-Base interactions energy: -40.429
where: short stacking energy: -34.761
Base-Backbone interact. energy: 0.436
local terms energy: -46.301469
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -3.954
flat angles P-C4'-P energy: -10.939
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -89.581651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.581651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.581651 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -25.251
Base-Backbone interact. energy: -0.014
local terms energy: -57.533263
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.854
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: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -227.688143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.688143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688143 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -76.402
Base-Backbone interact. energy: -0.101
local terms energy: -78.628340
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -18.980
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: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -224.122586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.122586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.122586 (E_RNA)
where:
Base-Base interactions energy: -158.197
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.163
local terms energy: -65.762634
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -192.841050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.841050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.841050 (E_RNA)
where:
Base-Base interactions energy: -122.459
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.127
local terms energy: -70.255648
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.019
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: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -202.222935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.222935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222935 (E_RNA)
where:
Base-Base interactions energy: -125.305
where: short stacking energy: -68.135
Base-Backbone interact. energy: 0.211
local terms energy: -77.128701
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -22.756
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -183.353703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.353703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.353703 (E_RNA)
where:
Base-Base interactions energy: -116.312
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.031
local terms energy: -67.010276
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.693
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: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -149.774677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.774677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.774677 (E_RNA)
where:
Base-Base interactions energy: -82.272
where: short stacking energy: -46.432
Base-Backbone interact. energy: 0.480
local terms energy: -67.982500
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -103.174253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.174253 (E_RNA)
where:
Base-Base interactions energy: -48.510
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.161
local terms energy: -54.503748
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -6.137
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: 218
Temperature: 1.250000
Total energy: -95.805360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.805360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.805360 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -34.984
Base-Backbone interact. energy: -0.168
local terms energy: -50.124587
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -88.345965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.345965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.345965 (E_RNA)
where:
Base-Base interactions energy: -31.030
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.114
local terms energy: -57.202490
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -70.891889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.891889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.891889 (E_RNA)
where:
Base-Base interactions energy: -20.770
where: short stacking energy: -14.798
Base-Backbone interact. energy: -0.345
local terms energy: -49.777026
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -227.917463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.917463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.917463 (E_RNA)
where:
Base-Base interactions energy: -156.195
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.818
local terms energy: -70.904438
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.954
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: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -218.419346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.419346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.419346 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.165
local terms energy: -69.360546
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -12.671
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: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -214.673334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.673334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.673334 (E_RNA)
where:
Base-Base interactions energy: -134.234
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.025
local terms energy: -80.414255
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -181.753759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.753759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.753759 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -65.459
Base-Backbone interact. energy: -0.704
local terms energy: -66.579111
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -203.807294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.807294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.807294 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.007
local terms energy: -73.132482
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -166.084348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.084348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.084348 (E_RNA)
where:
Base-Base interactions energy: -106.902
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.318
local terms energy: -58.863769
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -108.397898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.397898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.397898 (E_RNA)
where:
Base-Base interactions energy: -53.966
where: short stacking energy: -39.552
Base-Backbone interact. energy: -0.145
local terms energy: -54.286718
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -95.234504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.234504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.234504 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -31.132
Base-Backbone interact. energy: -0.007
local terms energy: -64.095989
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -73.291790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.291790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.291790 (E_RNA)
where:
Base-Base interactions energy: -23.927
where: short stacking energy: -15.387
Base-Backbone interact. energy: -1.602
local terms energy: -47.762361
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: 2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -83.592446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.592446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.592446 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -33.829
Base-Backbone interact. energy: 0.890
local terms energy: -48.282517
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -224.910651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.910651 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.165
local terms energy: -72.824363
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.403
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: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -229.144918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.144918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.144918 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.809
local terms energy: -79.140583
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -198.428137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.428137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.428137 (E_RNA)
where:
Base-Base interactions energy: -124.742
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.016
local terms energy: -73.670469
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -176.744069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.744069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.744069 (E_RNA)
where:
Base-Base interactions energy: -111.201
where: short stacking energy: -53.244
Base-Backbone interact. energy: -0.406
local terms energy: -65.137276
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.329
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -173.932215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.932215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.932215 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -41.585
Base-Backbone interact. energy: 0.299
local terms energy: -61.070525
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -200.535614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.535614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.535614 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -72.510
Base-Backbone interact. energy: -0.310
local terms energy: -57.819956
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -95.407220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.407220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.407220 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.174
local terms energy: -61.409589
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -99.805143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.805143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.805143 (E_RNA)
where:
Base-Base interactions energy: -46.978
where: short stacking energy: -26.856
Base-Backbone interact. energy: -0.304
local terms energy: -52.523315
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -86.485246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.485246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.485246 (E_RNA)
where:
Base-Base interactions energy: -34.811
where: short stacking energy: -34.811
Base-Backbone interact. energy: -0.594
local terms energy: -51.079869
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.679
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: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -78.130118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.130118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.130118 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -31.004
Base-Backbone interact. energy: 1.556
local terms energy: -46.435124
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -223.410496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410496 (E_RNA)
where:
Base-Base interactions energy: -148.322
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.168
local terms energy: -74.920423
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -225.510418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.510418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510418 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.365
local terms energy: -72.734338
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -21.116
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: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -196.683984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.683984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.683984 (E_RNA)
where:
Base-Base interactions energy: -125.763
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.134
local terms energy: -70.786691
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.616
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: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -187.308429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.308429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.308429 (E_RNA)
where:
Base-Base interactions energy: -119.305
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.054
local terms energy: -67.950156
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -165.748237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.748237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.748237 (E_RNA)
where:
Base-Base interactions energy: -99.019
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.552
local terms energy: -66.177227
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -185.098104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.098104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.098104 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.419
local terms energy: -62.900824
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -80.996620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996620 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -27.573
Base-Backbone interact. energy: -0.157
local terms energy: -47.263521
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -84.121405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.121405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.121405 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.108
local terms energy: -49.650041
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -96.749525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.749525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.749525 (E_RNA)
where:
Base-Base interactions energy: -41.942
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.009
local terms energy: -54.798946
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.995
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -106.852544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852544 (E_RNA)
where:
Base-Base interactions energy: -72.723
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.065
local terms energy: -34.064310
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -6.858
flat angles P-C4'-P energy: -1.409
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -229.812376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.812376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.812376 (E_RNA)
where:
Base-Base interactions energy: -158.336
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.472
local terms energy: -71.004027
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.223
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: 222
Temperature: 0.950000
Total energy: -219.127422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.127422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.127422 (E_RNA)
where:
Base-Base interactions energy: -151.884
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.124
local terms energy: -67.118793
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.007
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: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -201.989166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.989166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.989166 (E_RNA)
where:
Base-Base interactions energy: -122.190
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.008
local terms energy: -79.790685
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -192.744806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.744806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.744806 (E_RNA)
where:
Base-Base interactions energy: -124.268
where: short stacking energy: -62.374
Base-Backbone interact. energy: -0.106
local terms energy: -68.370703
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -194.281085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.281085 (E_RNA)
where:
Base-Base interactions energy: -125.860
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.127
local terms energy: -68.293705
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -167.409547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.409547 (E_RNA)
where:
Base-Base interactions energy: -98.511
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.096
local terms energy: -68.802740
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -105.455533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.455533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.455533 (E_RNA)
where:
Base-Base interactions energy: -47.348
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.181
local terms energy: -57.925848
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.405
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: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -96.185608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.185608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.185608 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -36.366
Base-Backbone interact. energy: -0.032
local terms energy: -54.588349
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -100.994396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.994396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.994396 (E_RNA)
where:
Base-Base interactions energy: -52.861
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.241
local terms energy: -47.891592
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -77.823320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.823320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.823320 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.021
local terms energy: -48.080150
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -232.630579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.630579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.630579 (E_RNA)
where:
Base-Base interactions energy: -152.988
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.066
local terms energy: -79.576738
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -217.971256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.971256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971256 (E_RNA)
where:
Base-Base interactions energy: -152.411
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.168
local terms energy: -65.391606
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -203.872300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.872300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.872300 (E_RNA)
where:
Base-Base interactions energy: -126.212
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.013
local terms energy: -77.647000
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -207.976841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.976841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.976841 (E_RNA)
where:
Base-Base interactions energy: -133.362
where: short stacking energy: -64.802
Base-Backbone interact. energy: -0.160
local terms energy: -74.454764
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -171.209442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.209442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.209442 (E_RNA)
where:
Base-Base interactions energy: -114.766
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.176
local terms energy: -56.267547
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -153.606228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.606228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.606228 (E_RNA)
where:
Base-Base interactions energy: -94.467
where: short stacking energy: -49.192
Base-Backbone interact. energy: -0.083
local terms energy: -59.056475
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -97.743549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.743549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.743549 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.414
local terms energy: -66.136569
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.664
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -91.301887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301887 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.034
local terms energy: -55.868943
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -12.164
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -76.275506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275506 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.147
local terms energy: -41.946042
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -72.075010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.075010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.075010 (E_RNA)
where:
Base-Base interactions energy: -18.328
where: short stacking energy: -17.814
Base-Backbone interact. energy: -0.354
local terms energy: -53.392095
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -224.292958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.292958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.292958 (E_RNA)
where:
Base-Base interactions energy: -155.541
where: short stacking energy: -70.493
Base-Backbone interact. energy: -0.438
local terms energy: -68.314084
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -218.523479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523479 (E_RNA)
where:
Base-Base interactions energy: -158.077
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.542
local terms energy: -59.904238
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -213.291857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291857 (E_RNA)
where:
Base-Base interactions energy: -134.714
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.855
local terms energy: -77.723052
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -21.365
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: 224
Temperature: 1.050000
Total energy: -186.683633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.683633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.683633 (E_RNA)
where:
Base-Base interactions energy: -124.690
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.175
local terms energy: -61.818650
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -187.529580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.529580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.529580 (E_RNA)
where:
Base-Base interactions energy: -126.513
where: short stacking energy: -52.308
Base-Backbone interact. energy: -0.216
local terms energy: -60.800944
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.024
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: 224
Temperature: 1.150000
Total energy: -145.944309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.944309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.944309 (E_RNA)
where:
Base-Base interactions energy: -81.290
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.095
local terms energy: -64.559353
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -12.555
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: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -91.943437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943437 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -27.833
Base-Backbone interact. energy: -1.192
local terms energy: -60.347809
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -80.947874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947874 (E_RNA)
where:
Base-Base interactions energy: -28.708
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.187
local terms energy: -52.052748
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -89.382383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.382383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.382383 (E_RNA)
where:
Base-Base interactions energy: -38.194
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.152
local terms energy: -51.036213
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -70.696615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.696615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.696615 (E_RNA)
where:
Base-Base interactions energy: -23.031
where: short stacking energy: -21.654
Base-Backbone interact. energy: -0.217
local terms energy: -47.449295
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -228.748066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.748066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.748066 (E_RNA)
where:
Base-Base interactions energy: -149.740
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.207
local terms energy: -78.801327
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -225.071730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.071730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.071730 (E_RNA)
where:
Base-Base interactions energy: -152.086
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.235
local terms energy: -72.750251
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -207.646966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.646966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.646966 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.003
local terms energy: -77.027191
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -179.724497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.724497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.724497 (E_RNA)
where:
Base-Base interactions energy: -119.030
where: short stacking energy: -65.639
Base-Backbone interact. energy: -1.135
local terms energy: -59.559068
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -182.040599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.040599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.040599 (E_RNA)
where:
Base-Base interactions energy: -113.249
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.159
local terms energy: -68.632579
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -165.471884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.471884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.471884 (E_RNA)
where:
Base-Base interactions energy: -103.893
where: short stacking energy: -52.983
Base-Backbone interact. energy: -0.867
local terms energy: -60.711406
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -10.134
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: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -99.325405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.325405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.325405 (E_RNA)
where:
Base-Base interactions energy: -43.551
where: short stacking energy: -25.603
Base-Backbone interact. energy: -1.784
local terms energy: -53.989926
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -4.144
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: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -77.515241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.515241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.515241 (E_RNA)
where:
Base-Base interactions energy: -25.385
where: short stacking energy: -25.385
Base-Backbone interact. energy: 2.068
local terms energy: -54.198555
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -76.419617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.419617 (E_RNA)
where:
Base-Base interactions energy: -24.467
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.797
local terms energy: -51.155623
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -146.542705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.542705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.542705 (E_RNA)
where:
Base-Base interactions energy: -97.878
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.449
local terms energy: -48.215767
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -221.619059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.619059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.619059 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.121
local terms energy: -72.493508
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -22.508
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: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -226.788465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.788465 (E_RNA)
where:
Base-Base interactions energy: -157.484
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.177
local terms energy: -69.128156
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -216.223508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.223508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.223508 (E_RNA)
where:
Base-Base interactions energy: -137.806
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.687
local terms energy: -77.730044
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -187.092580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.092580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.092580 (E_RNA)
where:
Base-Base interactions energy: -122.899
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.093
local terms energy: -64.100241
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -181.626148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626148 (E_RNA)
where:
Base-Base interactions energy: -112.262
where: short stacking energy: -56.374
Base-Backbone interact. energy: -1.121
local terms energy: -68.242580
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -160.241371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.241371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.241371 (E_RNA)
where:
Base-Base interactions energy: -95.851
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.109
local terms energy: -64.281125
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -107.438667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.438667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.438667 (E_RNA)
where:
Base-Base interactions energy: -53.706
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.052
local terms energy: -53.680619
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -89.376932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.376932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.376932 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.740
local terms energy: -45.632208
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -1.540
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -82.691384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.691384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.691384 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.039
local terms energy: -52.765114
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.220
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -75.176272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176272 (E_RNA)
where:
Base-Base interactions energy: -26.024
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.728
local terms energy: -48.424435
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -225.544689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.544689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.544689 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.170
local terms energy: -75.822896
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -213.090780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.090780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.090780 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.764
local terms energy: -77.429443
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -228.161335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161335 (E_RNA)
where:
Base-Base interactions energy: -155.487
where: short stacking energy: -67.318
Base-Backbone interact. energy: -0.740
local terms energy: -71.934425
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -12.011
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: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -184.859675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.859675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.859675 (E_RNA)
where:
Base-Base interactions energy: -125.796
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.624
local terms energy: -58.438870
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -174.008002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.008002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.008002 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.458
local terms energy: -62.502664
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -166.490372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.490372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.490372 (E_RNA)
where:
Base-Base interactions energy: -111.011
where: short stacking energy: -52.847
Base-Backbone interact. energy: -0.061
local terms energy: -55.419002
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -91.163212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.163212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.163212 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -39.173
Base-Backbone interact. energy: -0.041
local terms energy: -51.624277
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -99.987740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.987740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.987740 (E_RNA)
where:
Base-Base interactions energy: -43.063
where: short stacking energy: -43.063
Base-Backbone interact. energy: -0.204
local terms energy: -56.720662
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -99.527042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.527042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.527042 (E_RNA)
where:
Base-Base interactions energy: -56.508
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.223
local terms energy: -42.796066
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: 2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -80.651544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.651544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.651544 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.153
local terms energy: -50.977798
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -232.098794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.098794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098794 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.219
local terms energy: -81.607977
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -22.620
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -223.012700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.012700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.012700 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.125
local terms energy: -68.578402
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -14.868
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -227.655888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.655888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.655888 (E_RNA)
where:
Base-Base interactions energy: -156.091
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.461
local terms energy: -71.104030
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -166.759696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.759696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.759696 (E_RNA)
where:
Base-Base interactions energy: -99.858
where: short stacking energy: -37.863
Base-Backbone interact. energy: 0.118
local terms energy: -67.020005
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.601
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -191.656946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.656946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.656946 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -50.005
Base-Backbone interact. energy: -0.963
local terms energy: -75.324166
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -19.546
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: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -167.117174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.117174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.117174 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.007
local terms energy: -73.291681
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -95.902745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.902745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.902745 (E_RNA)
where:
Base-Base interactions energy: -49.945
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.457
local terms energy: -45.501251
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -99.424278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.424278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.424278 (E_RNA)
where:
Base-Base interactions energy: -51.304
where: short stacking energy: -26.489
Base-Backbone interact. energy: -0.017
local terms energy: -48.102728
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -96.678919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.678919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.678919 (E_RNA)
where:
Base-Base interactions energy: -44.806
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.232
local terms energy: -51.640460
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -81.409213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.409213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.409213 (E_RNA)
where:
Base-Base interactions energy: -32.899
where: short stacking energy: -29.679
Base-Backbone interact. energy: -0.143
local terms energy: -48.367188
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -2.910
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: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -226.539914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.539914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.539914 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.414
local terms energy: -81.446588
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -225.565716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.565716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.565716 (E_RNA)
where:
Base-Base interactions energy: -148.822
where: short stacking energy: -68.468
Base-Backbone interact. energy: -1.710
local terms energy: -75.034052
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -215.216912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216912 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -61.592
Base-Backbone interact. energy: 2.804
local terms energy: -71.457337
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -193.404594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.404594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.404594 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.038
local terms energy: -69.573571
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -8.140
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -179.624433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.624433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.624433 (E_RNA)
where:
Base-Base interactions energy: -117.573
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.215
local terms energy: -61.836283
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -184.197393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.197393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.197393 (E_RNA)
where:
Base-Base interactions energy: -117.098
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.265
local terms energy: -66.835185
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.438
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -82.064159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.064159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.064159 (E_RNA)
where:
Base-Base interactions energy: -41.146
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.272
local terms energy: -40.645775
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -95.320629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.320629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.320629 (E_RNA)
where:
Base-Base interactions energy: -44.804
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.200
local terms energy: -50.316734
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -78.493081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.493081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.493081 (E_RNA)
where:
Base-Base interactions energy: -47.663
where: short stacking energy: -22.996
Base-Backbone interact. energy: 0.188
local terms energy: -31.017467
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: 3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -75.440160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.440160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.440160 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -34.087
Base-Backbone interact. energy: -0.002
local terms energy: -41.350953
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -2.124
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: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -235.199099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.199099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.199099 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -71.097
Base-Backbone interact. energy: -0.304
local terms energy: -79.775639
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -20.475
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -214.642051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.642051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.642051 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.036
local terms energy: -70.137723
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -190.512678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.512678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.512678 (E_RNA)
where:
Base-Base interactions energy: -109.224
where: short stacking energy: -55.378
Base-Backbone interact. energy: -0.080
local terms energy: -81.208612
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -222.148861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.148861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.148861 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -65.609
Base-Backbone interact. energy: 1.127
local terms energy: -71.266981
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -186.685413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.685413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.685413 (E_RNA)
where:
Base-Base interactions energy: -119.589
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.006
local terms energy: -67.091102
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -167.108468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.108468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.108468 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.025
local terms energy: -61.478264
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -90.135909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.135909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.135909 (E_RNA)
where:
Base-Base interactions energy: -29.794
where: short stacking energy: -27.847
Base-Backbone interact. energy: -2.024
local terms energy: -58.318013
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -86.001105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.001105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.001105 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.033
local terms energy: -53.828169
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -93.867861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.867861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.867861 (E_RNA)
where:
Base-Base interactions energy: -50.358
where: short stacking energy: -26.736
Base-Backbone interact. energy: -0.133
local terms energy: -43.376330
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -76.529034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.529034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.529034 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.173
local terms energy: -38.317963
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -229.854719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.854719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.854719 (E_RNA)
where:
Base-Base interactions energy: -154.153
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.516
local terms energy: -75.185816
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -215.569861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.569861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.569861 (E_RNA)
where:
Base-Base interactions energy: -134.987
where: short stacking energy: -71.057
Base-Backbone interact. energy: -0.074
local terms energy: -80.508955
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.851
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: 231
Temperature: 1.000000
Total energy: -202.707081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707081 (E_RNA)
where:
Base-Base interactions energy: -127.625
where: short stacking energy: -67.765
Base-Backbone interact. energy: -0.012
local terms energy: -75.069648
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -213.101420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.101420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.101420 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -58.327
Base-Backbone interact. energy: 1.356
local terms energy: -75.198720
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -210.004184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.004184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.004184 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -56.249
Base-Backbone interact. energy: 0.622
local terms energy: -67.361118
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -7.401
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: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -157.733200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.733200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.733200 (E_RNA)
where:
Base-Base interactions energy: -91.718
where: short stacking energy: -49.139
Base-Backbone interact. energy: -0.036
local terms energy: -65.979837
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -123.918593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.918593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.918593 (E_RNA)
where:
Base-Base interactions energy: -63.926
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.046
local terms energy: -59.946295
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -86.298881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298881 (E_RNA)
where:
Base-Base interactions energy: -41.525
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.315
local terms energy: -44.458518
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -89.176670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.176670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.176670 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -27.076
Base-Backbone interact. energy: 0.479
local terms energy: -50.290088
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -133.129703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.129703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.129703 (E_RNA)
where:
Base-Base interactions energy: -71.707
where: short stacking energy: -44.529
Base-Backbone interact. energy: -0.082
local terms energy: -61.341004
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -222.105957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.105957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.105957 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.362
local terms energy: -80.502803
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -229.732103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.732103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.732103 (E_RNA)
where:
Base-Base interactions energy: -150.951
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.302
local terms energy: -78.478899
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -199.348722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.348722 (E_RNA)
where:
Base-Base interactions energy: -126.243
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.055
local terms energy: -73.051183
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -192.955956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.955956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.955956 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -57.873
Base-Backbone interact. energy: -0.095
local terms energy: -71.284344
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -15.954
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: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -207.787983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.787983 (E_RNA)
where:
Base-Base interactions energy: -135.489
where: short stacking energy: -60.629
Base-Backbone interact. energy: -0.197
local terms energy: -72.102200
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -161.517388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.517388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.517388 (E_RNA)
where:
Base-Base interactions energy: -106.600
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.310
local terms energy: -54.607448
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -143.426182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.426182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.426182 (E_RNA)
where:
Base-Base interactions energy: -81.650
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.042
local terms energy: -61.734241
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -94.151525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.151525 (E_RNA)
where:
Base-Base interactions energy: -44.850
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.066
local terms energy: -49.235576
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.830
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: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -84.465206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465206 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.297
local terms energy: -47.097407
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -10.345
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: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.031210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031210 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -28.572
Base-Backbone interact. energy: -0.096
local terms energy: -52.082877
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -225.897552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.897552 (E_RNA)
where:
Base-Base interactions energy: -148.550
where: short stacking energy: -74.658
Base-Backbone interact. energy: -2.341
local terms energy: -75.006977
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -228.365226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.365226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.365226 (E_RNA)
where:
Base-Base interactions energy: -150.609
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.502
local terms energy: -77.254175
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -194.534407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.534407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.534407 (E_RNA)
where:
Base-Base interactions energy: -122.683
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.326
local terms energy: -71.525181
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -214.375775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.375775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.375775 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -66.766
Base-Backbone interact. energy: -0.521
local terms energy: -73.911058
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -180.548205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.548205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.548205 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.340
local terms energy: -64.148397
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -162.358308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.358308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.358308 (E_RNA)
where:
Base-Base interactions energy: -98.562
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.266
local terms energy: -63.529877
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -135.162411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.162411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.162411 (E_RNA)
where:
Base-Base interactions energy: -78.175
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.377
local terms energy: -56.610144
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -89.024080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.024080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.024080 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.017
local terms energy: -53.037379
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -77.862187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.862187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.862187 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.161
local terms energy: -41.160184
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -85.530781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530781 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.013
local terms energy: -55.043800
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.842
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: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -233.024702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.024702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.024702 (E_RNA)
where:
Base-Base interactions energy: -158.241
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.549
local terms energy: -74.234517
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -219.127489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.127489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.127489 (E_RNA)
where:
Base-Base interactions energy: -137.985
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.721
local terms energy: -80.420670
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -12.359
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: 234
Temperature: 1.000000
Total energy: -216.763495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763495 (E_RNA)
where:
Base-Base interactions energy: -142.659
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.261
local terms energy: -73.843763
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.357
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -195.383607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.383607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.383607 (E_RNA)
where:
Base-Base interactions energy: -121.105
where: short stacking energy: -63.016
Base-Backbone interact. energy: -0.081
local terms energy: -74.197805
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -183.609027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.609027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.609027 (E_RNA)
where:
Base-Base interactions energy: -115.126
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.262
local terms energy: -68.221626
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -176.482597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.482597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.482597 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.002
local terms energy: -65.916903
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -15.726
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: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -101.788066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.788066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.788066 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.189
local terms energy: -64.697422
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -81.461496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461496 (E_RNA)
where:
Base-Base interactions energy: -22.050
where: short stacking energy: -21.953
Base-Backbone interact. energy: -0.108
local terms energy: -59.302888
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -8.657
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: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -90.831007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.831007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.831007 (E_RNA)
where:
Base-Base interactions energy: -44.303
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.196
local terms energy: -46.331537
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -79.053310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.053310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.053310 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -33.986
Base-Backbone interact. energy: -0.075
local terms energy: -44.889882
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -230.245434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.245434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.245434 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.748
local terms energy: -79.445367
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -221.408579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.408579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.408579 (E_RNA)
where:
Base-Base interactions energy: -144.899
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.180
local terms energy: -76.329402
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -210.224349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.224349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.224349 (E_RNA)
where:
Base-Base interactions energy: -133.645
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.002
local terms energy: -76.577608
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -187.676068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676068 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.001
local terms energy: -73.970704
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -183.997289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.997289 (E_RNA)
where:
Base-Base interactions energy: -119.836
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.085
local terms energy: -64.076603
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -190.473776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473776 (E_RNA)
where:
Base-Base interactions energy: -125.923
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.085
local terms energy: -64.465024
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -97.656979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.656979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.656979 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.301
local terms energy: -60.284895
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -9.118
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -78.322895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.322895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.322895 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.194
local terms energy: -49.003397
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.048
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -87.313351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.313351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.313351 (E_RNA)
where:
Base-Base interactions energy: -37.230
where: short stacking energy: -25.038
Base-Backbone interact. energy: -0.158
local terms energy: -49.925384
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -0.749
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: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -74.989431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.989431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.989431 (E_RNA)
where:
Base-Base interactions energy: -23.870
where: short stacking energy: -22.602
Base-Backbone interact. energy: -0.129
local terms energy: -50.990617
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -221.786968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.786968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.786968 (E_RNA)
where:
Base-Base interactions energy: -148.340
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.268
local terms energy: -73.178938
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -18.095
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -224.530613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.530613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530613 (E_RNA)
where:
Base-Base interactions energy: -151.475
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.153
local terms energy: -72.901798
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -171.042696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.042696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.042696 (E_RNA)
where:
Base-Base interactions energy: -110.695
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.001
local terms energy: -60.346183
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.491
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: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -208.551264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.551264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.551264 (E_RNA)
where:
Base-Base interactions energy: -131.632
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.297
local terms energy: -76.622127
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -22.641
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: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -184.517919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517919 (E_RNA)
where:
Base-Base interactions energy: -114.425
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.004
local terms energy: -70.089673
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -185.068283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.068283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.068283 (E_RNA)
where:
Base-Base interactions energy: -111.977
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.016
local terms energy: -73.074656
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -11.374
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: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -98.031971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.031971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.031971 (E_RNA)
where:
Base-Base interactions energy: -47.092
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.099
local terms energy: -50.840965
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -96.704441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.704441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.704441 (E_RNA)
where:
Base-Base interactions energy: -54.954
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.069
local terms energy: -41.682268
where:
bonds (distance) C4'-P energy: -3.193
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -87.074529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.074529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.074529 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -35.638
Base-Backbone interact. energy: 1.212
local terms energy: -54.056662
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -83.681506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.681506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.681506 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.045
local terms energy: -49.617003
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -225.156339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.156339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.156339 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.004
local terms energy: -71.555093
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -220.177650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.177650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.177650 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -64.467
Base-Backbone interact. energy: -0.254
local terms energy: -71.686862
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -183.082897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.082897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.082897 (E_RNA)
where:
Base-Base interactions energy: -121.214
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.036
local terms energy: -61.832751
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -12.837
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -164.039606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.039606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.039606 (E_RNA)
where:
Base-Base interactions energy: -93.538
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.023
local terms energy: -70.478341
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -12.601
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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -199.188746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.188746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.188746 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.027
local terms energy: -72.229597
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -18.894
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -163.605992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.605992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.605992 (E_RNA)
where:
Base-Base interactions energy: -107.575
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.055
local terms energy: -55.975638
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -101.277669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.277669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.277669 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.029
local terms energy: -63.828293
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -6.851
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: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -86.540633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.540633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.540633 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.006
local terms energy: -53.502867
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -82.090130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.090130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.090130 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -23.405
Base-Backbone interact. energy: -0.159
local terms energy: -54.027444
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.376
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: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -85.788567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.788567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.788567 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.088
local terms energy: -54.613031
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -228.209488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.209488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.209488 (E_RNA)
where:
Base-Base interactions energy: -149.326
where: short stacking energy: -66.944
Base-Backbone interact. energy: 1.587
local terms energy: -80.469856
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -222.123679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.123679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.123679 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.215
local terms energy: -70.613428
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -10.889
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: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -190.539604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.539604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.539604 (E_RNA)
where:
Base-Base interactions energy: -114.977
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.289
local terms energy: -75.273391
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -193.333526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.333526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.333526 (E_RNA)
where:
Base-Base interactions energy: -120.948
where: short stacking energy: -65.289
Base-Backbone interact. energy: -1.270
local terms energy: -71.114621
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -18.432
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: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -196.266461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.266461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.266461 (E_RNA)
where:
Base-Base interactions energy: -134.701
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.296
local terms energy: -61.268997
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -161.885858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.885858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885858 (E_RNA)
where:
Base-Base interactions energy: -105.341
where: short stacking energy: -56.512
Base-Backbone interact. energy: -1.473
local terms energy: -55.071484
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -94.205026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.205026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.205026 (E_RNA)
where:
Base-Base interactions energy: -41.205
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.090
local terms energy: -52.910069
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -79.556741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.556741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.556741 (E_RNA)
where:
Base-Base interactions energy: -23.173
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.184
local terms energy: -56.199712
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -0.697
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: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -99.789947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.789947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.789947 (E_RNA)
where:
Base-Base interactions energy: -51.634
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.355
local terms energy: -47.800872
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -82.798747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798747 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.196
local terms energy: -48.927019
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -230.145295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.145295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.145295 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.290
local terms energy: -75.731094
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -194.999883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.999883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.999883 (E_RNA)
where:
Base-Base interactions energy: -122.955
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.026
local terms energy: -72.019327
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -13.229
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: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -215.973007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973007 (E_RNA)
where:
Base-Base interactions energy: -145.164
where: short stacking energy: -62.072
Base-Backbone interact. energy: -0.725
local terms energy: -70.083695
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -187.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.700551 (E_RNA)
where:
Base-Base interactions energy: -114.603
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.054
local terms energy: -73.042930
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -185.515365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515365 (E_RNA)
where:
Base-Base interactions energy: -129.895
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.636
local terms energy: -54.984506
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -164.015383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.015383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.015383 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.068
local terms energy: -65.537734
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -99.632271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.632271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.632271 (E_RNA)
where:
Base-Base interactions energy: -36.481
where: short stacking energy: -36.029
Base-Backbone interact. energy: -0.246
local terms energy: -62.905508
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -8.452
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: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -86.399531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399531 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.121
local terms energy: -58.455564
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -5.870
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -91.448249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.448249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.448249 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -37.383
Base-Backbone interact. energy: 0.014
local terms energy: -53.878727
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -74.078234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.078234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.078234 (E_RNA)
where:
Base-Base interactions energy: -23.203
where: short stacking energy: -18.797
Base-Backbone interact. energy: -0.039
local terms energy: -50.835562
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -224.700739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.700739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.700739 (E_RNA)
where:
Base-Base interactions energy: -146.320
where: short stacking energy: -63.900
Base-Backbone interact. energy: -0.454
local terms energy: -77.926818
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -187.839868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.839868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.839868 (E_RNA)
where:
Base-Base interactions energy: -114.516
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.434
local terms energy: -72.890175
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.193
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: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -216.289768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.289768 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.278
local terms energy: -70.429010
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -190.173126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.173126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.173126 (E_RNA)
where:
Base-Base interactions energy: -116.142
where: short stacking energy: -58.747
Base-Backbone interact. energy: -1.262
local terms energy: -72.769667
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -193.662185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.662185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.662185 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -48.999
Base-Backbone interact. energy: -0.180
local terms energy: -69.623020
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -184.892076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.892076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.892076 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.372
local terms energy: -63.890015
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -16.603
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: 240
Temperature: 1.200000
Total energy: -85.377668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377668 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -28.310
Base-Backbone interact. energy: -1.430
local terms energy: -51.067577
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -87.373935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.373935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.373935 (E_RNA)
where:
Base-Base interactions energy: -30.131
where: short stacking energy: -21.859
Base-Backbone interact. energy: -0.193
local terms energy: -57.050342
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -99.357730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.357730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.357730 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.113
local terms energy: -63.391928
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -86.797381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.797381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.797381 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -29.133
Base-Backbone interact. energy: -0.002
local terms energy: -57.661988
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -225.105658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.105658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.105658 (E_RNA)
where:
Base-Base interactions energy: -151.985
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.452
local terms energy: -72.669250
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -222.395189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.395189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.395189 (E_RNA)
where:
Base-Base interactions energy: -146.446
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.380
local terms energy: -75.569326
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.336
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: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -193.235330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.235330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.235330 (E_RNA)
where:
Base-Base interactions energy: -115.449
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.440
local terms energy: -77.346259
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.277
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: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -191.812839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.812839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.812839 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -56.317
Base-Backbone interact. energy: -1.085
local terms energy: -69.029500
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -198.442570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.442570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.442570 (E_RNA)
where:
Base-Base interactions energy: -130.272
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.294
local terms energy: -67.876058
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -175.745140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.745140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.745140 (E_RNA)
where:
Base-Base interactions energy: -106.087
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.182
local terms energy: -69.476307
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -93.562808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562808 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.048
local terms energy: -52.036469
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -7.706
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -8.232
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: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -90.985966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.985966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.985966 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -34.797
Base-Backbone interact. energy: -0.255
local terms energy: -55.647303
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -6.009
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: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -90.408437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408437 (E_RNA)
where:
Base-Base interactions energy: -31.095
where: short stacking energy: -27.197
Base-Backbone interact. energy: -0.370
local terms energy: -58.944054
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -3.110
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: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.971838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971838 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -27.249
Base-Backbone interact. energy: -0.096
local terms energy: -52.689155
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -228.418490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.418490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.418490 (E_RNA)
where:
Base-Base interactions energy: -150.239
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.166
local terms energy: -78.013403
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -15.505
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: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -216.023715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.023715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.023715 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -63.701
Base-Backbone interact. energy: -0.383
local terms energy: -67.027644
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -194.350401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.350401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.350401 (E_RNA)
where:
Base-Base interactions energy: -124.772
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.679
local terms energy: -68.899376
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.951
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: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -188.328002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.328002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.328002 (E_RNA)
where:
Base-Base interactions energy: -115.989
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.266
local terms energy: -72.073003
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -189.441897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.441897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.441897 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.021
local terms energy: -74.058475
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -183.340558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.340558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.340558 (E_RNA)
where:
Base-Base interactions energy: -108.738
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.009
local terms energy: -74.593804
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -84.116074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116074 (E_RNA)
where:
Base-Base interactions energy: -34.697
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.498
local terms energy: -48.921038
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -93.772831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.772831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.772831 (E_RNA)
where:
Base-Base interactions energy: -39.778
where: short stacking energy: -38.591
Base-Backbone interact. energy: -0.001
local terms energy: -53.994141
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -86.046930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046930 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.094
local terms energy: -53.389859
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -2.129
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: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -77.449079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.449079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.449079 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.208
local terms energy: -41.315465
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -233.252097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.252097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.252097 (E_RNA)
where:
Base-Base interactions energy: -158.552
where: short stacking energy: -62.221
Base-Backbone interact. energy: 1.940
local terms energy: -76.640173
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -223.604237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604237 (E_RNA)
where:
Base-Base interactions energy: -148.726
where: short stacking energy: -70.282
Base-Backbone interact. energy: -0.537
local terms energy: -74.341470
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -190.461783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.461783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.461783 (E_RNA)
where:
Base-Base interactions energy: -117.797
where: short stacking energy: -52.904
Base-Backbone interact. energy: -0.913
local terms energy: -71.751798
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -194.289050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.289050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.289050 (E_RNA)
where:
Base-Base interactions energy: -126.327
where: short stacking energy: -61.340
Base-Backbone interact. energy: -0.307
local terms energy: -67.655789
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.348
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: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -202.009002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.009002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.009002 (E_RNA)
where:
Base-Base interactions energy: -128.221
where: short stacking energy: -71.704
Base-Backbone interact. energy: -0.082
local terms energy: -73.705832
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -182.784423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.784423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.784423 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.733
local terms energy: -70.418359
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -91.092265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.092265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.092265 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.171
local terms energy: -55.588823
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -94.356640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.356640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.356640 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.122
local terms energy: -57.275020
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -74.474433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.474433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.474433 (E_RNA)
where:
Base-Base interactions energy: -32.446
where: short stacking energy: -32.446
Base-Backbone interact. energy: -0.028
local terms energy: -41.999941
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -8.212
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -84.735510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735510 (E_RNA)
where:
Base-Base interactions energy: -32.068
where: short stacking energy: -31.593
Base-Backbone interact. energy: -0.243
local terms energy: -52.423903
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -229.936283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.936283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.936283 (E_RNA)
where:
Base-Base interactions energy: -156.225
where: short stacking energy: -63.961
Base-Backbone interact. energy: 0.134
local terms energy: -73.844970
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -226.355655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.355655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.355655 (E_RNA)
where:
Base-Base interactions energy: -155.033
where: short stacking energy: -66.533
Base-Backbone interact. energy: -0.147
local terms energy: -71.175468
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -202.762183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.762183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.762183 (E_RNA)
where:
Base-Base interactions energy: -131.658
where: short stacking energy: -67.162
Base-Backbone interact. energy: -1.057
local terms energy: -70.047203
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -171.180855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.180855 (E_RNA)
where:
Base-Base interactions energy: -101.648
where: short stacking energy: -49.913
Base-Backbone interact. energy: -0.068
local terms energy: -69.464923
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -170.609206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.609206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609206 (E_RNA)
where:
Base-Base interactions energy: -103.557
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.132
local terms energy: -66.919942
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -174.500863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.500863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.500863 (E_RNA)
where:
Base-Base interactions energy: -106.060
where: short stacking energy: -54.004
Base-Backbone interact. energy: -0.193
local terms energy: -68.248494
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -96.145089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.145089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.145089 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -31.313
Base-Backbone interact. energy: -1.096
local terms energy: -63.736509
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.343
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: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -89.176399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.176399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.176399 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -22.297
Base-Backbone interact. energy: 0.356
local terms energy: -56.089161
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -80.858145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.858145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.858145 (E_RNA)
where:
Base-Base interactions energy: -30.726
where: short stacking energy: -24.439
Base-Backbone interact. energy: -0.928
local terms energy: -49.203917
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -84.858732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.858732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.858732 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.099
local terms energy: -50.374234
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -225.826728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.826728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.826728 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -69.950
Base-Backbone interact. energy: 1.340
local terms energy: -64.711432
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -15.828
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -208.163098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163098 (E_RNA)
where:
Base-Base interactions energy: -128.644
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.094
local terms energy: -79.425197
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -218.739338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739338 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -56.462
Base-Backbone interact. energy: -0.337
local terms energy: -68.487586
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -193.723972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.723972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.723972 (E_RNA)
where:
Base-Base interactions energy: -120.366
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.197
local terms energy: -73.160277
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -167.280838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.280838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.280838 (E_RNA)
where:
Base-Base interactions energy: -98.026
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.050
local terms energy: -69.204280
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -181.216577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.216577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.216577 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.004
local terms energy: -67.254372
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -7.946
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: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -94.639046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.639046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.639046 (E_RNA)
where:
Base-Base interactions energy: -40.075
where: short stacking energy: -38.154
Base-Backbone interact. energy: 0.781
local terms energy: -55.345281
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -88.935464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.935464 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -28.719
Base-Backbone interact. energy: -0.894
local terms energy: -49.332194
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -78.569530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569530 (E_RNA)
where:
Base-Base interactions energy: -26.030
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.449
local terms energy: -52.090160
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -95.565474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.565474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.565474 (E_RNA)
where:
Base-Base interactions energy: -51.658
where: short stacking energy: -22.741
Base-Backbone interact. energy: -1.305
local terms energy: -42.602510
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -7.207
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -210.679263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.679263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.679263 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.159
local terms energy: -75.737223
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -21.075
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: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -219.473377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.473377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.473377 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.358
local terms energy: -72.584429
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -207.397959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397959 (E_RNA)
where:
Base-Base interactions energy: -135.825
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.054
local terms energy: -71.518820
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -211.345008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.345008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.345008 (E_RNA)
where:
Base-Base interactions energy: -145.415
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.378
local terms energy: -65.551873
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -176.149058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.149058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.149058 (E_RNA)
where:
Base-Base interactions energy: -99.215
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.457
local terms energy: -76.477447
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -162.794546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.794546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.794546 (E_RNA)
where:
Base-Base interactions energy: -107.890
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.182
local terms energy: -54.722437
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.168
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: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -98.556498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.556498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.556498 (E_RNA)
where:
Base-Base interactions energy: -40.239
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.143
local terms energy: -58.174101
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -76.673437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.673437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.673437 (E_RNA)
where:
Base-Base interactions energy: -32.826
where: short stacking energy: -32.493
Base-Backbone interact. energy: 0.405
local terms energy: -44.252482
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -7.735
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: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -73.003016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.003016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.003016 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -16.182
Base-Backbone interact. energy: -0.222
local terms energy: -36.168546
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: 0.108
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -103.183456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.183456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.183456 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.069
local terms energy: -67.397938
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -209.272120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.272120 (E_RNA)
where:
Base-Base interactions energy: -137.450
where: short stacking energy: -79.232
Base-Backbone interact. energy: 0.955
local terms energy: -72.777262
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -225.392853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.392853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.392853 (E_RNA)
where:
Base-Base interactions energy: -150.742
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.331
local terms energy: -74.320455
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -11.062
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -212.734592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.734592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.734592 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.006
local terms energy: -75.561211
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -13.116
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: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -219.252843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.252843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252843 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -68.151
Base-Backbone interact. energy: -0.122
local terms energy: -70.701741
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -201.271648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271648 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -60.546
Base-Backbone interact. energy: -0.138
local terms energy: -70.756818
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -177.715078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.715078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.715078 (E_RNA)
where:
Base-Base interactions energy: -118.445
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.090
local terms energy: -59.179914
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.761
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: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -87.811883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.811883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.811883 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -28.839
Base-Backbone interact. energy: 2.467
local terms energy: -54.183004
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -86.960094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960094 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.091
local terms energy: -49.678514
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -4.438
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -89.213783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.213783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.213783 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.475
local terms energy: -50.919489
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -73.202991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.202991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.202991 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -17.633
Base-Backbone interact. energy: -0.989
local terms energy: -43.630221
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: 2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -224.992526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.992526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.992526 (E_RNA)
where:
Base-Base interactions energy: -148.263
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.225
local terms energy: -76.504236
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -207.848948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.848948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.848948 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -73.416
Base-Backbone interact. energy: -0.002
local terms energy: -72.422604
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.319
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -217.089597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.089597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.089597 (E_RNA)
where:
Base-Base interactions energy: -139.591
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.159
local terms energy: -77.340029
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -201.763941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.763941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.763941 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -58.880
Base-Backbone interact. energy: -1.483
local terms energy: -76.433726
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -168.298876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.298876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.298876 (E_RNA)
where:
Base-Base interactions energy: -108.826
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.198
local terms energy: -59.275030
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -170.746550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.746550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.746550 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.018
local terms energy: -63.551549
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -86.660585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.660585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.660585 (E_RNA)
where:
Base-Base interactions energy: -41.370
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.982
local terms energy: -44.308914
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -90.029473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029473 (E_RNA)
where:
Base-Base interactions energy: -35.191
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.034
local terms energy: -54.804773
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -84.382218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.382218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.382218 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -21.187
Base-Backbone interact. energy: -1.290
local terms energy: -54.607115
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -71.243934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.243934 (E_RNA)
where:
Base-Base interactions energy: -17.301
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.375
local terms energy: -53.567371
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: 1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -232.880633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.880633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.880633 (E_RNA)
where:
Base-Base interactions energy: -158.667
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.516
local terms energy: -73.697883
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -222.184584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.184584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.184584 (E_RNA)
where:
Base-Base interactions energy: -148.612
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.116
local terms energy: -73.456778
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -202.820879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820879 (E_RNA)
where:
Base-Base interactions energy: -131.205
where: short stacking energy: -69.826
Base-Backbone interact. energy: 3.017
local terms energy: -74.632320
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -19.151
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: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -210.714635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.714635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.714635 (E_RNA)
where:
Base-Base interactions energy: -135.879
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.701
local terms energy: -74.134394
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -176.638523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638523 (E_RNA)
where:
Base-Base interactions energy: -105.245
where: short stacking energy: -50.008
Base-Backbone interact. energy: -0.364
local terms energy: -71.029500
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -9.847
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: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -179.267907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.267907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.267907 (E_RNA)
where:
Base-Base interactions energy: -110.234
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.014
local terms energy: -69.020108
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -106.617394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.617394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.617394 (E_RNA)
where:
Base-Base interactions energy: -51.087
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.117
local terms energy: -55.413358
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.946
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: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -93.789185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.789185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.789185 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.480
local terms energy: -53.521749
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -83.659846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659846 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.090
local terms energy: -49.386191
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -80.148945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.148945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.148945 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.111
local terms energy: -45.661640
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -230.932516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.932516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.932516 (E_RNA)
where:
Base-Base interactions energy: -152.113
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.779
local terms energy: -78.040725
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -17.574
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -217.379844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.379844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.379844 (E_RNA)
where:
Base-Base interactions energy: -151.256
where: short stacking energy: -50.815
Base-Backbone interact. energy: -0.293
local terms energy: -65.830484
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -197.093270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.093270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.093270 (E_RNA)
where:
Base-Base interactions energy: -130.016
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.237
local terms energy: -66.840303
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -218.290152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.290152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.290152 (E_RNA)
where:
Base-Base interactions energy: -138.179
where: short stacking energy: -65.085
Base-Backbone interact. energy: -1.026
local terms energy: -79.085164
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -184.998173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.998173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.998173 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.311
local terms energy: -69.467173
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -171.511488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.511488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.511488 (E_RNA)
where:
Base-Base interactions energy: -107.455
where: short stacking energy: -48.693
Base-Backbone interact. energy: -1.208
local terms energy: -62.848507
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.272
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: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -87.182843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.182843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.182843 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.056
local terms energy: -48.256006
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -87.630076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.630076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.630076 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.187
local terms energy: -53.174909
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -81.649936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649936 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.029
local terms energy: -47.177766
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -83.637520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.637520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.637520 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -34.895
Base-Backbone interact. energy: 2.404
local terms energy: -51.146690
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -6.929
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -230.977014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.977014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.977014 (E_RNA)
where:
Base-Base interactions energy: -152.592
where: short stacking energy: -73.528
Base-Backbone interact. energy: -0.395
local terms energy: -77.989656
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -216.840265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.840265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.840265 (E_RNA)
where:
Base-Base interactions energy: -141.650
where: short stacking energy: -62.028
Base-Backbone interact. energy: 0.442
local terms energy: -75.632018
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.365
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: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -207.212289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.212289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.212289 (E_RNA)
where:
Base-Base interactions energy: -135.907
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.580
local terms energy: -70.726078
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -20.241
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -192.135296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.135296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.135296 (E_RNA)
where:
Base-Base interactions energy: -120.599
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.172
local terms energy: -71.364257
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -200.432279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.432279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.432279 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.115
local terms energy: -79.240900
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.556
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -178.017140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.017140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.017140 (E_RNA)
where:
Base-Base interactions energy: -117.114
where: short stacking energy: -57.140
Base-Backbone interact. energy: -0.076
local terms energy: -60.827365
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.167
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: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -90.533300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.533300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.533300 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -26.274
Base-Backbone interact. energy: -0.072
local terms energy: -53.904826
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.719
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: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -99.747818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.747818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.747818 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -40.438
Base-Backbone interact. energy: -0.003
local terms energy: -59.307582
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.853
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: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.891055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891055 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.197
local terms energy: -49.909861
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -4.659
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: 251
Temperature: 1.350000
Total energy: -82.829077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.829077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.829077 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.119
local terms energy: -54.968798
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -228.577974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.577974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.577974 (E_RNA)
where:
Base-Base interactions energy: -151.118
where: short stacking energy: -70.801
Base-Backbone interact. energy: 0.840
local terms energy: -78.300197
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -221.295013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.295013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.295013 (E_RNA)
where:
Base-Base interactions energy: -152.500
where: short stacking energy: -66.018
Base-Backbone interact. energy: -0.110
local terms energy: -68.685445
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -201.904854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.904854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.904854 (E_RNA)
where:
Base-Base interactions energy: -129.087
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.277
local terms energy: -72.540770
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -192.646781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.646781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.646781 (E_RNA)
where:
Base-Base interactions energy: -120.211
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.855
local terms energy: -71.580109
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -179.491842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.491842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.491842 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -46.778
Base-Backbone interact. energy: -0.286
local terms energy: -58.932571
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -189.399052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.399052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.399052 (E_RNA)
where:
Base-Base interactions energy: -118.155
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.504
local terms energy: -70.740293
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -90.344199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.344199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.344199 (E_RNA)
where:
Base-Base interactions energy: -37.136
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.210
local terms energy: -52.999060
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -4.652
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: 252
Temperature: 1.250000
Total energy: -87.928969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.928969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.928969 (E_RNA)
where:
Base-Base interactions energy: -34.425
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.830
local terms energy: -52.673896
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -74.095904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.095904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.095904 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.110
local terms energy: -46.014490
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -85.658736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658736 (E_RNA)
where:
Base-Base interactions energy: -33.138
where: short stacking energy: -33.138
Base-Backbone interact. energy: 0.112
local terms energy: -52.632619
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -228.120326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.120326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.120326 (E_RNA)
where:
Base-Base interactions energy: -154.186
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.169
local terms energy: -73.765275
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -225.615058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.615058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615058 (E_RNA)
where:
Base-Base interactions energy: -154.467
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.125
local terms energy: -71.022725
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -206.900376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900376 (E_RNA)
where:
Base-Base interactions energy: -136.087
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.003
local terms energy: -70.811157
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -196.009240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.009240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.009240 (E_RNA)
where:
Base-Base interactions energy: -123.192
where: short stacking energy: -55.195
Base-Backbone interact. energy: -0.211
local terms energy: -72.606374
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -180.759698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.759698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.759698 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.694
local terms energy: -69.287577
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -15.712
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: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -191.050661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.050661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.050661 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.297
local terms energy: -68.123282
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -94.489725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.489725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.489725 (E_RNA)
where:
Base-Base interactions energy: -37.551
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.060
local terms energy: -56.878917
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -82.730827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.730827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.730827 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -36.248
Base-Backbone interact. energy: 0.082
local terms energy: -45.521601
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -78.678098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.678098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.678098 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -21.095
Base-Backbone interact. energy: -1.576
local terms energy: -43.031982
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -8.346
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: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.388021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.388021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.388021 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.169
local terms energy: -50.972165
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -4.723
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: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -232.521297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.521297 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.515
local terms energy: -74.999730
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -219.088359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.088359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.088359 (E_RNA)
where:
Base-Base interactions energy: -146.519
where: short stacking energy: -67.800
Base-Backbone interact. energy: -0.093
local terms energy: -72.476282
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.818
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -201.829949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.829949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.829949 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -66.800
Base-Backbone interact. energy: 1.884
local terms energy: -72.156880
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -195.971294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.971294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.971294 (E_RNA)
where:
Base-Base interactions energy: -123.064
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.285
local terms energy: -72.622731
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -17.234
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: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -184.460224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.460224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.460224 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.876
local terms energy: -64.686284
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -161.498638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.498638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.498638 (E_RNA)
where:
Base-Base interactions energy: -105.745
where: short stacking energy: -52.195
Base-Backbone interact. energy: -0.093
local terms energy: -55.661376
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -102.062915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.062915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.062915 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -36.482
Base-Backbone interact. energy: -0.111
local terms energy: -63.659679
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.259
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: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -79.845103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.845103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.845103 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -29.317
Base-Backbone interact. energy: -0.586
local terms energy: -47.503988
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -0.856
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: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -84.327928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327928 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.017
local terms energy: -51.161508
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.495
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: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -83.705293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.705293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.705293 (E_RNA)
where:
Base-Base interactions energy: -36.509
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.675
local terms energy: -46.521423
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -228.272868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.272868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.272868 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -71.929
Base-Backbone interact. energy: -0.239
local terms energy: -75.907084
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -214.836922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.836922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.836922 (E_RNA)
where:
Base-Base interactions energy: -138.071
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.563
local terms energy: -76.203064
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -217.283063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.283063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.283063 (E_RNA)
where:
Base-Base interactions energy: -144.511
where: short stacking energy: -62.149
Base-Backbone interact. energy: 0.690
local terms energy: -73.461926
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.709
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -188.793304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.793304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.793304 (E_RNA)
where:
Base-Base interactions energy: -126.131
where: short stacking energy: -69.898
Base-Backbone interact. energy: 1.802
local terms energy: -64.464542
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -154.402503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.402503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.402503 (E_RNA)
where:
Base-Base interactions energy: -96.566
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.246
local terms energy: -57.591212
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -100.282126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.282126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.282126 (E_RNA)
where:
Base-Base interactions energy: -47.467
where: short stacking energy: -42.479
Base-Backbone interact. energy: -0.085
local terms energy: -52.730377
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -168.033554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.033554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.033554 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.002
local terms energy: -62.917293
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.236
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: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -98.025118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.025118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.025118 (E_RNA)
where:
Base-Base interactions energy: -46.329
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.109
local terms energy: -51.587320
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: 0.191
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: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -73.872838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.872838 (E_RNA)
where:
Base-Base interactions energy: -28.261
where: short stacking energy: -27.514
Base-Backbone interact. energy: 0.210
local terms energy: -45.822150
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -6.608
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: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -81.073089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073089 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -35.751
Base-Backbone interact. energy: -0.041
local terms energy: -45.280275
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -225.002601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002601 (E_RNA)
where:
Base-Base interactions energy: -151.859
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.157
local terms energy: -72.985704
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -215.733645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733645 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -58.501
Base-Backbone interact. energy: -1.271
local terms energy: -73.738676
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -217.123573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.123573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.123573 (E_RNA)
where:
Base-Base interactions energy: -147.063
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.482
local terms energy: -69.579069
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -199.546780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.546780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.546780 (E_RNA)
where:
Base-Base interactions energy: -125.155
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.025
local terms energy: -74.366597
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.606
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: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -103.021998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021998 (E_RNA)
where:
Base-Base interactions energy: -49.922
where: short stacking energy: -35.573
Base-Backbone interact. energy: 0.766
local terms energy: -53.865980
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.067
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -168.949434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.949434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.949434 (E_RNA)
where:
Base-Base interactions energy: -110.426
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.041
local terms energy: -58.482263
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -186.562775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.562775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.562775 (E_RNA)
where:
Base-Base interactions energy: -127.854
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.587
local terms energy: -58.121392
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -95.139689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139689 (E_RNA)
where:
Base-Base interactions energy: -35.769
where: short stacking energy: -35.769
Base-Backbone interact. energy: -0.065
local terms energy: -59.306501
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -9.373
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: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -81.807724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807724 (E_RNA)
where:
Base-Base interactions energy: -28.277
where: short stacking energy: -25.824
Base-Backbone interact. energy: -0.122
local terms energy: -53.409169
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.443241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.443241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.443241 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -25.048
Base-Backbone interact. energy: 1.438
local terms energy: -49.796318
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -231.277901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.277901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.277901 (E_RNA)
where:
Base-Base interactions energy: -153.583
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.417
local terms energy: -77.277769
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -224.657624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.657624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.657624 (E_RNA)
where:
Base-Base interactions energy: -155.424
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.051
local terms energy: -69.182380
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -14.789
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: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -213.105827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.105827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.105827 (E_RNA)
where:
Base-Base interactions energy: -149.283
where: short stacking energy: -60.449
Base-Backbone interact. energy: -1.673
local terms energy: -62.149132
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -9.037
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: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -205.170869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170869 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.001
local terms energy: -78.275739
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -14.649
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: 257
Temperature: 1.100000
Total energy: -110.708298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.708298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.708298 (E_RNA)
where:
Base-Base interactions energy: -52.953
where: short stacking energy: -50.686
Base-Backbone interact. energy: -0.051
local terms energy: -57.703640
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -182.336519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.336519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.336519 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -54.536
Base-Backbone interact. energy: 0.373
local terms energy: -69.156751
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -11.742
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -162.089517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.089517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.089517 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.013
local terms energy: -58.462702
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -14.091
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: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -85.022351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.022351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.022351 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -26.091
Base-Backbone interact. energy: -0.871
local terms energy: -48.686030
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -89.177208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.177208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.177208 (E_RNA)
where:
Base-Base interactions energy: -44.665
where: short stacking energy: -24.810
Base-Backbone interact. energy: -0.900
local terms energy: -43.612472
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -85.587138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587138 (E_RNA)
where:
Base-Base interactions energy: -34.499
where: short stacking energy: -32.065
Base-Backbone interact. energy: 1.500
local terms energy: -52.588355
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -228.340184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.340184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.340184 (E_RNA)
where:
Base-Base interactions energy: -152.797
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.074
local terms energy: -75.469178
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -17.222
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -226.932734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.932734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.932734 (E_RNA)
where:
Base-Base interactions energy: -157.786
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.132
local terms energy: -69.014674
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.659
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: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -192.861022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.861022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.861022 (E_RNA)
where:
Base-Base interactions energy: -124.363
where: short stacking energy: -65.822
Base-Backbone interact. energy: 0.097
local terms energy: -68.594188
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -18.228
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -199.405604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.405604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.405604 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.187
local terms energy: -70.013370
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -192.625649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.625649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.625649 (E_RNA)
where:
Base-Base interactions energy: -125.543
where: short stacking energy: -56.173
Base-Backbone interact. energy: -1.155
local terms energy: -65.927395
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -101.895047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.895047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.895047 (E_RNA)
where:
Base-Base interactions energy: -49.055
where: short stacking energy: -47.939
Base-Backbone interact. energy: -0.123
local terms energy: -52.716107
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -2.041
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -138.426251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.426251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.426251 (E_RNA)
where:
Base-Base interactions energy: -74.954
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.010
local terms energy: -63.462659
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.587
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: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -88.797172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797172 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.183
local terms energy: -46.528128
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -4.324
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -92.069599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.069599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.069599 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -34.619
Base-Backbone interact. energy: -0.308
local terms energy: -53.892779
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -67.267567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.267567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.267567 (E_RNA)
where:
Base-Base interactions energy: -17.854
where: short stacking energy: -11.499
Base-Backbone interact. energy: 0.423
local terms energy: -49.836262
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.482
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: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -226.570503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.570503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.570503 (E_RNA)
where:
Base-Base interactions energy: -149.961
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.141
local terms energy: -76.468783
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.879
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: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -211.533991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533991 (E_RNA)
where:
Base-Base interactions energy: -130.454
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.094
local terms energy: -80.986394
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -20.623
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: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -228.248738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.248738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.248738 (E_RNA)
where:
Base-Base interactions energy: -154.288
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.348
local terms energy: -73.613107
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -210.296129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.296129 (E_RNA)
where:
Base-Base interactions energy: -138.197
where: short stacking energy: -67.663
Base-Backbone interact. energy: -0.005
local terms energy: -72.094134
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -175.655285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.655285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.655285 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.687
local terms energy: -64.882301
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -173.278462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278462 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -47.540
Base-Backbone interact. energy: -0.232
local terms energy: -58.861157
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -90.887668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.887668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.887668 (E_RNA)
where:
Base-Base interactions energy: -32.996
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.180
local terms energy: -57.712224
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.828
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: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -94.670702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.670702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.670702 (E_RNA)
where:
Base-Base interactions energy: -44.040
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.175
local terms energy: -50.455239
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -5.050
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: 259
Temperature: 1.300000
Total energy: -86.945774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945774 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.137
local terms energy: -53.719774
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.138813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138813 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -24.820
Base-Backbone interact. energy: -1.064
local terms energy: -47.480919
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.396
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: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -226.509207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.509207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.509207 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.285
local terms energy: -72.762455
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -206.830486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.830486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.830486 (E_RNA)
where:
Base-Base interactions energy: -131.398
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.017
local terms energy: -75.414673
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -213.638523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.638523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.638523 (E_RNA)
where:
Base-Base interactions energy: -140.664
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.003
local terms energy: -72.972151
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -210.404107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404107 (E_RNA)
where:
Base-Base interactions energy: -146.606
where: short stacking energy: -69.680
Base-Backbone interact. energy: -0.418
local terms energy: -63.380548
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -169.546798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.546798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.546798 (E_RNA)
where:
Base-Base interactions energy: -106.271
where: short stacking energy: -55.012
Base-Backbone interact. energy: -0.018
local terms energy: -63.257643
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -155.168285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.168285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.168285 (E_RNA)
where:
Base-Base interactions energy: -86.432
where: short stacking energy: -49.241
Base-Backbone interact. energy: 0.645
local terms energy: -69.381394
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -98.457597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.457597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.457597 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -35.332
Base-Backbone interact. energy: -0.263
local terms energy: -58.936235
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -93.558741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.558741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.558741 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -34.300
Base-Backbone interact. energy: -0.300
local terms energy: -57.681388
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -89.400112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400112 (E_RNA)
where:
Base-Base interactions energy: -39.005
where: short stacking energy: -22.319
Base-Backbone interact. energy: -0.082
local terms energy: -50.312475
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -91.970989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.970989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.970989 (E_RNA)
where:
Base-Base interactions energy: -29.539
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.002
local terms energy: -62.429935
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -225.477366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.477366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.477366 (E_RNA)
where:
Base-Base interactions energy: -152.591
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.162
local terms energy: -72.724364
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -200.610762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.610762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.610762 (E_RNA)
where:
Base-Base interactions energy: -128.792
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.630
local terms energy: -71.188176
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -16.515
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: 261
Temperature: 1.000000
Total energy: -206.023177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.023177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.023177 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -69.791
Base-Backbone interact. energy: -0.001
local terms energy: -73.902664
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -191.962319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.962319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962319 (E_RNA)
where:
Base-Base interactions energy: -127.722
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.110
local terms energy: -64.130067
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -196.925269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.925269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.925269 (E_RNA)
where:
Base-Base interactions energy: -138.016
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.730
local terms energy: -58.179229
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -7.730
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: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -151.207199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.207199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.207199 (E_RNA)
where:
Base-Base interactions energy: -89.512
where: short stacking energy: -49.755
Base-Backbone interact. energy: -0.111
local terms energy: -61.584173
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -80.417445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417445 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.375
local terms energy: -55.196677
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -89.283431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283431 (E_RNA)
where:
Base-Base interactions energy: -40.627
where: short stacking energy: -8.297
Base-Backbone interact. energy: -0.398
local terms energy: -48.257614
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -83.128290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128290 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.317
local terms energy: -50.109107
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.054
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: 261
Temperature: 1.350000
Total energy: -73.255191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.255191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.255191 (E_RNA)
where:
Base-Base interactions energy: -21.153
where: short stacking energy: -12.085
Base-Backbone interact. energy: -0.323
local terms energy: -51.778934
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -214.810457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.810457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.810457 (E_RNA)
where:
Base-Base interactions energy: -130.729
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.232
local terms energy: -83.849209
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -22.288
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: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -221.172975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.172975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.172975 (E_RNA)
where:
Base-Base interactions energy: -148.775
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.235
local terms energy: -72.162525
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -199.763596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.763596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.763596 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.491
local terms energy: -72.277821
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.056
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: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -195.860379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.860379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.860379 (E_RNA)
where:
Base-Base interactions energy: -120.264
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.294
local terms energy: -75.301961
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -197.334214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334214 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -62.866
Base-Backbone interact. energy: -0.352
local terms energy: -68.143690
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -15.190
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -180.802353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.802353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.802353 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.000
local terms energy: -69.762826
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.771
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: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -93.124689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.124689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.124689 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -37.331
Base-Backbone interact. energy: -0.062
local terms energy: -55.731358
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -9.917
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: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -84.390672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390672 (E_RNA)
where:
Base-Base interactions energy: -33.865
where: short stacking energy: -29.676
Base-Backbone interact. energy: 0.913
local terms energy: -51.438802
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -87.384291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384291 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.189
local terms energy: -52.625602
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -89.926472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926472 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.318
local terms energy: -49.938414
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -223.852859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.852859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.852859 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -67.839
Base-Backbone interact. energy: 1.486
local terms energy: -74.957278
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -207.099784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.099784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.099784 (E_RNA)
where:
Base-Base interactions energy: -129.393
where: short stacking energy: -66.342
Base-Backbone interact. energy: -1.304
local terms energy: -76.402502
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -217.780413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.780413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.780413 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.364
local terms energy: -64.293531
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -202.549240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.549240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.549240 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.105
local terms energy: -72.022130
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -193.732127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.732127 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.308
local terms energy: -65.854130
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -178.475626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.475626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.475626 (E_RNA)
where:
Base-Base interactions energy: -107.143
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.060
local terms energy: -71.271912
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -97.948746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.948746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.948746 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.124
local terms energy: -60.090078
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -82.863000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.863000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.863000 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.394
local terms energy: -51.493566
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -82.249913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.249913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.249913 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.019
local terms energy: -52.927988
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -79.164426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.164426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.164426 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.007
local terms energy: -47.035730
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -8.394
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: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -219.989784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989784 (E_RNA)
where:
Base-Base interactions energy: -146.909
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.010
local terms energy: -73.070611
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -202.542034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.542034 (E_RNA)
where:
Base-Base interactions energy: -124.190
where: short stacking energy: -59.749
Base-Backbone interact. energy: -1.586
local terms energy: -76.766113
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -219.260741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.260741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.260741 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.244
local terms energy: -71.690500
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -17.887
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: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -191.048693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.048693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.048693 (E_RNA)
where:
Base-Base interactions energy: -116.659
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.078
local terms energy: -74.312086
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -193.049264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.049264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.049264 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -55.884
Base-Backbone interact. energy: -1.135
local terms energy: -62.705288
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -154.044455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.044455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.044455 (E_RNA)
where:
Base-Base interactions energy: -95.928
where: short stacking energy: -44.313
Base-Backbone interact. energy: -0.250
local terms energy: -57.866219
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -95.729023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.729023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.729023 (E_RNA)
where:
Base-Base interactions energy: -46.112
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.012
local terms energy: -49.604287
where:
bonds (distance) C4'-P energy: -7.409
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -13.224
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: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -89.340485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340485 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -32.791
Base-Backbone interact. energy: 0.883
local terms energy: -49.620279
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -80.332792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332792 (E_RNA)
where:
Base-Base interactions energy: -36.770
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.108
local terms energy: -43.454643
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -4.937
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: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -82.420989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.420989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.420989 (E_RNA)
where:
Base-Base interactions energy: -26.820
where: short stacking energy: -26.041
Base-Backbone interact. energy: 1.165
local terms energy: -56.765535
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -225.231043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.231043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.231043 (E_RNA)
where:
Base-Base interactions energy: -147.872
where: short stacking energy: -76.215
Base-Backbone interact. energy: -0.869
local terms energy: -76.489560
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -23.740
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: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -223.104825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.104825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.104825 (E_RNA)
where:
Base-Base interactions energy: -149.825
where: short stacking energy: -67.843
Base-Backbone interact. energy: 1.413
local terms energy: -74.692274
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -203.170759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.170759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.170759 (E_RNA)
where:
Base-Base interactions energy: -132.537
where: short stacking energy: -66.905
Base-Backbone interact. energy: 0.063
local terms energy: -70.697072
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -9.417
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: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -213.261051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.261051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.261051 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.365
local terms energy: -74.575953
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -184.908405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.908405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.908405 (E_RNA)
where:
Base-Base interactions energy: -117.928
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.205
local terms energy: -66.775060
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -15.685
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -152.937703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.937703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.937703 (E_RNA)
where:
Base-Base interactions energy: -93.480
where: short stacking energy: -45.121
Base-Backbone interact. energy: -0.103
local terms energy: -59.354910
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -91.123802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123802 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -28.363
Base-Backbone interact. energy: -0.218
local terms energy: -57.347543
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -89.889419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.889419 (E_RNA)
where:
Base-Base interactions energy: -31.131
where: short stacking energy: -31.131
Base-Backbone interact. energy: -0.071
local terms energy: -58.687296
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -98.635033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.635033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.635033 (E_RNA)
where:
Base-Base interactions energy: -48.875
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.355
local terms energy: -49.405549
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -82.492169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.492169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.492169 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.183
local terms energy: -45.941643
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -222.124682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.124682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.124682 (E_RNA)
where:
Base-Base interactions energy: -148.719
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.033
local terms energy: -73.372413
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -219.343861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.343861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343861 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.089
local terms energy: -75.330749
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -211.393232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.393232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.393232 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.134
local terms energy: -68.534827
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -186.577590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.577590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.577590 (E_RNA)
where:
Base-Base interactions energy: -114.091
where: short stacking energy: -56.273
Base-Backbone interact. energy: -0.007
local terms energy: -72.479684
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -191.102044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.102044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.102044 (E_RNA)
where:
Base-Base interactions energy: -121.277
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.134
local terms energy: -69.691005
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -169.100904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.100904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.100904 (E_RNA)
where:
Base-Base interactions energy: -105.881
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.201
local terms energy: -63.018701
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -13.273
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: 266
Temperature: 1.200000
Total energy: -85.894854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.894854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.894854 (E_RNA)
where:
Base-Base interactions energy: -35.515
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.030
local terms energy: -50.349962
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -11.338
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: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -86.157908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157908 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -23.496
Base-Backbone interact. energy: -0.027
local terms energy: -49.719110
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.321
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: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -75.816290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.816290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.816290 (E_RNA)
where:
Base-Base interactions energy: -22.939
where: short stacking energy: -22.332
Base-Backbone interact. energy: -2.006
local terms energy: -50.871507
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -77.021970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.021970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.021970 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -26.682
Base-Backbone interact. energy: -0.192
local terms energy: -46.026167
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -4.689
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -224.643567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.643567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.643567 (E_RNA)
where:
Base-Base interactions energy: -148.439
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.026
local terms energy: -76.178917
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -225.423107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423107 (E_RNA)
where:
Base-Base interactions energy: -159.322
where: short stacking energy: -64.679
Base-Backbone interact. energy: 1.298
local terms energy: -67.398560
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -221.303306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.303306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.303306 (E_RNA)
where:
Base-Base interactions energy: -143.543
where: short stacking energy: -68.802
Base-Backbone interact. energy: -0.140
local terms energy: -77.620602
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -198.790050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.790050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.790050 (E_RNA)
where:
Base-Base interactions energy: -120.413
where: short stacking energy: -60.071
Base-Backbone interact. energy: -0.780
local terms energy: -77.596843
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -163.570779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.570779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.570779 (E_RNA)
where:
Base-Base interactions energy: -95.126
where: short stacking energy: -53.040
Base-Backbone interact. energy: 0.082
local terms energy: -68.526602
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -171.003160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.003160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.003160 (E_RNA)
where:
Base-Base interactions energy: -107.756
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.328
local terms energy: -62.919175
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -105.630205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.630205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.630205 (E_RNA)
where:
Base-Base interactions energy: -48.807
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.005
local terms energy: -56.818012
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -10.931
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: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -98.017348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.017348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.017348 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.107
local terms energy: -57.034690
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -81.714472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714472 (E_RNA)
where:
Base-Base interactions energy: -28.738
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.179
local terms energy: -52.797132
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -79.274439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.274439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.274439 (E_RNA)
where:
Base-Base interactions energy: -20.887
where: short stacking energy: -20.887
Base-Backbone interact. energy: -0.618
local terms energy: -57.769260
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.877
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: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -230.686884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.686884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.686884 (E_RNA)
where:
Base-Base interactions energy: -147.487
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.088
local terms energy: -83.111130
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -222.426604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.426604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.426604 (E_RNA)
where:
Base-Base interactions energy: -147.771
where: short stacking energy: -69.345
Base-Backbone interact. energy: -0.107
local terms energy: -74.549447
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -216.291667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.291667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.291667 (E_RNA)
where:
Base-Base interactions energy: -136.817
where: short stacking energy: -75.760
Base-Backbone interact. energy: -0.001
local terms energy: -79.474384
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -191.718459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.718459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.718459 (E_RNA)
where:
Base-Base interactions energy: -123.238
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.363
local terms energy: -68.116850
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -181.902082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.902082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.902082 (E_RNA)
where:
Base-Base interactions energy: -111.343
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.119
local terms energy: -70.440335
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -161.656135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.656135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.656135 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -52.673
Base-Backbone interact. energy: -0.002
local terms energy: -63.804255
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -125.666228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.666228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.666228 (E_RNA)
where:
Base-Base interactions energy: -68.979
where: short stacking energy: -42.491
Base-Backbone interact. energy: -0.460
local terms energy: -56.227283
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -98.670432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.670432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.670432 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.004
local terms energy: -57.923733
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -9.985
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -86.399863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399863 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -28.367
Base-Backbone interact. energy: -0.516
local terms energy: -51.374223
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -70.954389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.954389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.954389 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.230
local terms energy: -41.340421
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -219.081666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.081666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.081666 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -66.682
Base-Backbone interact. energy: -1.448
local terms energy: -72.186338
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -213.960933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.960933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.960933 (E_RNA)
where:
Base-Base interactions energy: -150.193
where: short stacking energy: -59.906
Base-Backbone interact. energy: 0.093
local terms energy: -63.860400
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -209.656550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.656550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.656550 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.647
local terms energy: -70.644922
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -18.717
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: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -202.859466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.859466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.859466 (E_RNA)
where:
Base-Base interactions energy: -131.701
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.383
local terms energy: -70.775571
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -177.457403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.457403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.457403 (E_RNA)
where:
Base-Base interactions energy: -113.583
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.060
local terms energy: -63.814028
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -10.478
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: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -166.535402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.535402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.535402 (E_RNA)
where:
Base-Base interactions energy: -106.028
where: short stacking energy: -50.310
Base-Backbone interact. energy: 0.510
local terms energy: -61.017942
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -10.038
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: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -111.667799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.667799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.667799 (E_RNA)
where:
Base-Base interactions energy: -64.826
where: short stacking energy: -27.827
Base-Backbone interact. energy: 1.309
local terms energy: -48.150824
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -79.099491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.099491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.099491 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.319
local terms energy: -40.457816
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -80.782970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.782970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.782970 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.359
local terms energy: -48.707577
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -75.172879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.172879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.172879 (E_RNA)
where:
Base-Base interactions energy: -31.108
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.267
local terms energy: -43.797608
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -230.577890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.577890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.577890 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -58.279
Base-Backbone interact. energy: -1.681
local terms energy: -69.161472
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -218.146666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.146666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146666 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -65.211
Base-Backbone interact. energy: 0.537
local terms energy: -62.779936
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -11.789
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -221.064703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.064703 (E_RNA)
where:
Base-Base interactions energy: -142.031
where: short stacking energy: -72.333
Base-Backbone interact. energy: -0.415
local terms energy: -78.618652
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -191.732729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.732729 (E_RNA)
where:
Base-Base interactions energy: -130.496
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.138
local terms energy: -61.099570
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -178.998051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.998051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.998051 (E_RNA)
where:
Base-Base interactions energy: -114.904
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.521
local terms energy: -63.573412
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -12.694
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -190.417884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.417884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.417884 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -51.733
Base-Backbone interact. energy: -1.351
local terms energy: -71.159941
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -102.343359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.343359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.343359 (E_RNA)
where:
Base-Base interactions energy: -52.429
where: short stacking energy: -34.691
Base-Backbone interact. energy: 0.013
local terms energy: -49.927003
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -90.304890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.304890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.304890 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -39.195
Base-Backbone interact. energy: -0.121
local terms energy: -49.009594
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -4.834
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -89.072419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072419 (E_RNA)
where:
Base-Base interactions energy: -35.090
where: short stacking energy: -32.387
Base-Backbone interact. energy: -0.003
local terms energy: -53.979038
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -77.263931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.263931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.263931 (E_RNA)
where:
Base-Base interactions energy: -20.451
where: short stacking energy: -20.158
Base-Backbone interact. energy: -0.719
local terms energy: -56.094682
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -10.579
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: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -223.581826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.581826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.581826 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.284
local terms energy: -70.515788
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -218.849980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849980 (E_RNA)
where:
Base-Base interactions energy: -146.695
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.005
local terms energy: -72.150639
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -215.476355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.476355 (E_RNA)
where:
Base-Base interactions energy: -143.522
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.252
local terms energy: -71.702982
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -162.251629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.251629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.251629 (E_RNA)
where:
Base-Base interactions energy: -97.440
where: short stacking energy: -52.803
Base-Backbone interact. energy: -1.087
local terms energy: -63.724638
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -174.313133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.313133 (E_RNA)
where:
Base-Base interactions energy: -100.978
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.498
local terms energy: -72.836760
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -175.179766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.179766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.179766 (E_RNA)
where:
Base-Base interactions energy: -105.076
where: short stacking energy: -57.945
Base-Backbone interact. energy: -0.287
local terms energy: -69.816579
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -86.829215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829215 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.839
local terms energy: -39.818388
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: 0.040
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: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -101.711359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.711359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.711359 (E_RNA)
where:
Base-Base interactions energy: -49.941
where: short stacking energy: -33.343
Base-Backbone interact. energy: -0.598
local terms energy: -51.172345
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -88.231901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231901 (E_RNA)
where:
Base-Base interactions energy: -43.584
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.299
local terms energy: -44.349554
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.988
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: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -69.964952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.964952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.964952 (E_RNA)
where:
Base-Base interactions energy: -27.307
where: short stacking energy: -26.380
Base-Backbone interact. energy: 1.539
local terms energy: -44.197230
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -227.108830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.108830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.108830 (E_RNA)
where:
Base-Base interactions energy: -143.201
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.012
local terms energy: -83.896343
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -218.792244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.792244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.792244 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.184
local terms energy: -66.600833
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -218.861593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.861593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.861593 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.930
local terms energy: -65.314996
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -172.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.857127 (E_RNA)
where:
Base-Base interactions energy: -107.301
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.083
local terms energy: -65.473092
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -15.162
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: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -183.415448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.415448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.415448 (E_RNA)
where:
Base-Base interactions energy: -111.181
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.391
local terms energy: -71.843406
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -173.916833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.916833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.916833 (E_RNA)
where:
Base-Base interactions energy: -107.664
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.408
local terms energy: -65.845058
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -100.925472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.925472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.925472 (E_RNA)
where:
Base-Base interactions energy: -44.455
where: short stacking energy: -33.606
Base-Backbone interact. energy: 0.793
local terms energy: -57.263814
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -79.767799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767799 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -22.798
Base-Backbone interact. energy: -1.525
local terms energy: -39.555401
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -4.939
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -86.353560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.353560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.353560 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -30.025
Base-Backbone interact. energy: -0.045
local terms energy: -53.462868
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -80.732864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.732864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.732864 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -38.622
Base-Backbone interact. energy: -0.044
local terms energy: -42.066926
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -226.933056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.933056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.933056 (E_RNA)
where:
Base-Base interactions energy: -143.450
where: short stacking energy: -80.285
Base-Backbone interact. energy: -1.839
local terms energy: -81.643837
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -221.662542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.662542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.662542 (E_RNA)
where:
Base-Base interactions energy: -156.313
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.321
local terms energy: -65.028784
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -220.051989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.051989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.051989 (E_RNA)
where:
Base-Base interactions energy: -162.530
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.622
local terms energy: -56.899319
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -0.650
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -192.281993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.281993 (E_RNA)
where:
Base-Base interactions energy: -117.588
where: short stacking energy: -56.723
Base-Backbone interact. energy: -0.101
local terms energy: -74.592535
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -172.716572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.716572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.716572 (E_RNA)
where:
Base-Base interactions energy: -101.749
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.371
local terms energy: -70.596135
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -99.628823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.628823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.628823 (E_RNA)
where:
Base-Base interactions energy: -44.821
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.179
local terms energy: -54.628596
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -2.694
tors. eta vs tors. theta energy: -10.346
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: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -147.967402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.967402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.967402 (E_RNA)
where:
Base-Base interactions energy: -85.624
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.486
local terms energy: -61.857816
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -95.227908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227908 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.275
local terms energy: -49.515843
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -7.294
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: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -75.148395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.148395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.148395 (E_RNA)
where:
Base-Base interactions energy: -30.968
where: short stacking energy: -23.081
Base-Backbone interact. energy: -0.105
local terms energy: -44.076205
where:
bonds (distance) C4'-P energy: -6.923
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -116.680468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.680468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.680468 (E_RNA)
where:
Base-Base interactions energy: -73.802
where: short stacking energy: -31.745
Base-Backbone interact. energy: -0.077
local terms energy: -42.801406
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -2.017
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: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -226.240642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.240642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.240642 (E_RNA)
where:
Base-Base interactions energy: -152.038
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.269
local terms energy: -73.933480
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -211.461824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.461824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.461824 (E_RNA)
where:
Base-Base interactions energy: -142.691
where: short stacking energy: -64.070
Base-Backbone interact. energy: -0.024
local terms energy: -68.746992
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -17.299
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -210.016311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.016311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016311 (E_RNA)
where:
Base-Base interactions energy: -146.277
where: short stacking energy: -51.726
Base-Backbone interact. energy: -0.564
local terms energy: -63.174858
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -205.787390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.787390 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.345
local terms energy: -65.187624
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -187.824397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.824397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.824397 (E_RNA)
where:
Base-Base interactions energy: -131.329
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.005
local terms energy: -56.490836
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -6.222
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: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -98.101610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.101610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.101610 (E_RNA)
where:
Base-Base interactions energy: -43.347
where: short stacking energy: -33.736
Base-Backbone interact. energy: 0.419
local terms energy: -55.173672
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -173.753146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.753146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.753146 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.016
local terms energy: -63.848857
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -85.395544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395544 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -34.864
Base-Backbone interact. energy: -1.210
local terms energy: -49.321124
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -122.041640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.041640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.041640 (E_RNA)
where:
Base-Base interactions energy: -80.452
where: short stacking energy: -34.517
Base-Backbone interact. energy: -0.028
local terms energy: -41.561490
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -7.363
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -73.483075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.483075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.483075 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.121
local terms energy: -41.502904
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: 2.545
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -228.489497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.489497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.489497 (E_RNA)
where:
Base-Base interactions energy: -157.737
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.108
local terms energy: -70.644788
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -217.331430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.331430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.331430 (E_RNA)
where:
Base-Base interactions energy: -147.999
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.111
local terms energy: -69.221921
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -206.923839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.923839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.923839 (E_RNA)
where:
Base-Base interactions energy: -132.768
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.006
local terms energy: -74.150512
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -21.630
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: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -210.167829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.167829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.167829 (E_RNA)
where:
Base-Base interactions energy: -135.005
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.345
local terms energy: -74.818697
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -12.996
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -189.685429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.685429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.685429 (E_RNA)
where:
Base-Base interactions energy: -118.058
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.190
local terms energy: -71.437865
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -190.202092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.202092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.202092 (E_RNA)
where:
Base-Base interactions energy: -120.231
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.252
local terms energy: -69.718854
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -88.528230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.528230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.528230 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.013
local terms energy: -53.695736
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -5.994
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: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -80.459619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459619 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.465
local terms energy: -47.633920
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -3.693
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: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -85.664391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664391 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -24.776
Base-Backbone interact. energy: 1.157
local terms energy: -49.410641
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -76.765139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.765139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.765139 (E_RNA)
where:
Base-Base interactions energy: -24.424
where: short stacking energy: -21.066
Base-Backbone interact. energy: -0.111
local terms energy: -52.229762
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -227.299718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299718 (E_RNA)
where:
Base-Base interactions energy: -150.272
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.302
local terms energy: -76.725760
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.699
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: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -229.838998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.838998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.838998 (E_RNA)
where:
Base-Base interactions energy: -155.848
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.387
local terms energy: -73.604365
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -215.583167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.583167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.583167 (E_RNA)
where:
Base-Base interactions energy: -144.546
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.214
local terms energy: -70.822860
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -210.282835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.282835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.282835 (E_RNA)
where:
Base-Base interactions energy: -139.188
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.131
local terms energy: -70.963432
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -191.783043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.783043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.783043 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.672
local terms energy: -66.536561
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -181.268557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.268557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.268557 (E_RNA)
where:
Base-Base interactions energy: -123.267
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.065
local terms energy: -57.936720
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -95.149599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.149599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.149599 (E_RNA)
where:
Base-Base interactions energy: -40.492
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.026
local terms energy: -54.631100
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -94.148502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.148502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.148502 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -34.156
Base-Backbone interact. energy: 0.222
local terms energy: -57.894404
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -88.881310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881310 (E_RNA)
where:
Base-Base interactions energy: -36.895
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.013
local terms energy: -51.972874
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -6.570
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: 276
Temperature: 1.350000
Total energy: -73.812146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.812146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.812146 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -29.310
Base-Backbone interact. energy: -0.370
local terms energy: -44.076508
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -217.773687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.773687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.773687 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.906
local terms energy: -69.878766
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -216.707509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.707509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.707509 (E_RNA)
where:
Base-Base interactions energy: -154.241
where: short stacking energy: -58.179
Base-Backbone interact. energy: -1.156
local terms energy: -61.310900
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -7.976
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -216.319765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.319765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.319765 (E_RNA)
where:
Base-Base interactions energy: -146.363
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.668
local terms energy: -69.289214
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -12.576
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: 277
Temperature: 1.050000
Total energy: -206.863197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.863197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.863197 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.005
local terms energy: -74.184259
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -182.354875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.354875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.354875 (E_RNA)
where:
Base-Base interactions energy: -113.611
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.369
local terms energy: -68.375042
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -15.506
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -155.315214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.315214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.315214 (E_RNA)
where:
Base-Base interactions energy: -98.182
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.893
local terms energy: -56.239855
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -99.720414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.720414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.720414 (E_RNA)
where:
Base-Base interactions energy: -58.553
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.212
local terms energy: -40.955823
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -7.062
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: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -86.336464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.336464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.336464 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.132
local terms energy: -51.139222
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -84.137201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.137201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.137201 (E_RNA)
where:
Base-Base interactions energy: -31.986
where: short stacking energy: -31.986
Base-Backbone interact. energy: -0.184
local terms energy: -51.966980
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -64.672632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.672632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.672632 (E_RNA)
where:
Base-Base interactions energy: -23.160
where: short stacking energy: -22.407
Base-Backbone interact. energy: -0.247
local terms energy: -41.266039
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: 2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -222.444250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.444250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.444250 (E_RNA)
where:
Base-Base interactions energy: -151.689
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.362
local terms energy: -70.393279
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -223.124897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124897 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.047
local terms energy: -74.846695
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -15.125
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -218.917410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917410 (E_RNA)
where:
Base-Base interactions energy: -143.031
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.393
local terms energy: -75.493421
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -212.975334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.975334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975334 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.799
local terms energy: -77.761101
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -9.911
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -149.284197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.284197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.284197 (E_RNA)
where:
Base-Base interactions energy: -98.662
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.034
local terms energy: -50.587769
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -7.220
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -185.874929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874929 (E_RNA)
where:
Base-Base interactions energy: -111.177
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.442
local terms energy: -74.255976
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.536
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: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -92.283950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.283950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.283950 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -40.892
Base-Backbone interact. energy: 0.566
local terms energy: -51.957228
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.470
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: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -95.622686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622686 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -37.880
Base-Backbone interact. energy: -0.001
local terms energy: -57.742448
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -79.870692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870692 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.070
local terms energy: -48.376944
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -3.937
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: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -76.111336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.111336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.111336 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -21.362
Base-Backbone interact. energy: -0.113
local terms energy: -48.443442
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -10.777
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: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -227.608518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.608518 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -59.122
Base-Backbone interact. energy: -1.081
local terms energy: -71.339482
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -11.384
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: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -235.294226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.294226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.294226 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.052
local terms energy: -64.291655
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -205.486113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.486113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.486113 (E_RNA)
where:
Base-Base interactions energy: -145.406
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.316
local terms energy: -59.763789
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -202.655020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.655020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.655020 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.086
local terms energy: -58.754004
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -196.071924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.071924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.071924 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.047
local terms energy: -76.598804
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -13.031
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: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -111.554395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.554395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.554395 (E_RNA)
where:
Base-Base interactions energy: -56.471
where: short stacking energy: -56.471
Base-Backbone interact. energy: 0.457
local terms energy: -55.540954
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -175.440865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.440865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.440865 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -49.566
Base-Backbone interact. energy: -0.074
local terms energy: -57.800949
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -13.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -98.269615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.269615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.269615 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -35.893
Base-Backbone interact. energy: -1.067
local terms energy: -61.310373
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -9.678
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -83.345351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.345351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.345351 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -33.445
Base-Backbone interact. energy: -0.179
local terms energy: -49.721586
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -10.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -84.665200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.665200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.665200 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -33.103
Base-Backbone interact. energy: 0.720
local terms energy: -52.135972
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -222.337174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.337174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.337174 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.298
local terms energy: -69.121049
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -13.775
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: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -227.999609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.999609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.999609 (E_RNA)
where:
Base-Base interactions energy: -155.275
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.229
local terms energy: -72.496027
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -205.943975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.943975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.943975 (E_RNA)
where:
Base-Base interactions energy: -132.541
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.507
local terms energy: -72.896076
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -218.834294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.834294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.834294 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.673
local terms energy: -65.291505
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -17.536
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: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -179.976731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.976731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.976731 (E_RNA)
where:
Base-Base interactions energy: -121.587
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.006
local terms energy: -58.383583
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -6.395
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: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -115.565462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.565462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.565462 (E_RNA)
where:
Base-Base interactions energy: -54.967
where: short stacking energy: -32.800
Base-Backbone interact. energy: -0.225
local terms energy: -60.373885
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -167.531493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.531493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.531493 (E_RNA)
where:
Base-Base interactions energy: -102.818
where: short stacking energy: -46.046
Base-Backbone interact. energy: -0.007
local terms energy: -64.706655
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -83.802643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.802643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.802643 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -24.108
Base-Backbone interact. energy: -0.038
local terms energy: -52.334591
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -75.293313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.293313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.293313 (E_RNA)
where:
Base-Base interactions energy: -33.835
where: short stacking energy: -33.835
Base-Backbone interact. energy: -0.062
local terms energy: -41.396448
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -5.135
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: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -80.794126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.794126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.794126 (E_RNA)
where:
Base-Base interactions energy: -30.010
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.149
local terms energy: -50.635817
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -9.171
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: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -227.271664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.271664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.271664 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -67.360
Base-Backbone interact. energy: 0.424
local terms energy: -74.969644
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -228.456374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.456374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.456374 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.199
local terms energy: -65.201479
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -12.699
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: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -219.491726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.491726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.491726 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.086
local terms energy: -71.622128
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -218.491069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.491069 (E_RNA)
where:
Base-Base interactions energy: -145.076
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.385
local terms energy: -73.029710
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -16.531
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -193.248217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.248217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.248217 (E_RNA)
where:
Base-Base interactions energy: -121.126
where: short stacking energy: -61.257
Base-Backbone interact. energy: -1.128
local terms energy: -70.993505
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.182
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -175.188922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.188922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.188922 (E_RNA)
where:
Base-Base interactions energy: -110.284
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.101
local terms energy: -64.804825
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.256
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: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -95.895842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.895842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.895842 (E_RNA)
where:
Base-Base interactions energy: -38.133
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.129
local terms energy: -57.633693
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -11.803
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: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -86.279760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.279760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.279760 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -22.509
Base-Backbone interact. energy: -0.129
local terms energy: -44.686342
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -3.651
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: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -82.397468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397468 (E_RNA)
where:
Base-Base interactions energy: -28.450
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.033
local terms energy: -53.914735
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.960
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -87.173992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173992 (E_RNA)
where:
Base-Base interactions energy: -36.105
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.182
local terms energy: -50.887017
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -229.208000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.208000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.208000 (E_RNA)
where:
Base-Base interactions energy: -163.746
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.254
local terms energy: -65.208557
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -222.327658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.327658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327658 (E_RNA)
where:
Base-Base interactions energy: -144.713
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.164
local terms energy: -77.451198
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -221.436228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.436228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.436228 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.153
local terms energy: -68.446334
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -17.430
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: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -217.477261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.477261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.477261 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.745
local terms energy: -72.665131
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -189.047670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.047670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.047670 (E_RNA)
where:
Base-Base interactions energy: -123.524
where: short stacking energy: -65.579
Base-Backbone interact. energy: 2.099
local terms energy: -67.622515
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.801
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: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -191.692397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.692397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.692397 (E_RNA)
where:
Base-Base interactions energy: -115.029
where: short stacking energy: -57.595
Base-Backbone interact. energy: -0.576
local terms energy: -76.087219
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -93.349516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.349516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.349516 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.134
local terms energy: -51.720508
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -82.433736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433736 (E_RNA)
where:
Base-Base interactions energy: -25.296
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.294
local terms energy: -56.843963
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -76.771932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771932 (E_RNA)
where:
Base-Base interactions energy: -20.740
where: short stacking energy: -19.153
Base-Backbone interact. energy: -0.295
local terms energy: -55.737482
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -89.277390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.277390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.277390 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -26.305
Base-Backbone interact. energy: 0.325
local terms energy: -50.348721
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -234.401102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.401102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.401102 (E_RNA)
where:
Base-Base interactions energy: -161.215
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.088
local terms energy: -73.098005
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -231.303444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.303444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.303444 (E_RNA)
where:
Base-Base interactions energy: -155.670
where: short stacking energy: -67.872
Base-Backbone interact. energy: 0.610
local terms energy: -76.243291
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -219.814476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814476 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.121
local terms energy: -68.615454
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -15.100
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -189.145831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.145831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.145831 (E_RNA)
where:
Base-Base interactions energy: -116.168
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.047
local terms energy: -72.931346
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -194.171218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.171218 (E_RNA)
where:
Base-Base interactions energy: -127.694
where: short stacking energy: -62.232
Base-Backbone interact. energy: -1.045
local terms energy: -65.432303
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.338
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: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -154.767927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.767927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.767927 (E_RNA)
where:
Base-Base interactions energy: -101.966
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.692
local terms energy: -52.109888
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -10.883
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: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -96.676256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.676256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.676256 (E_RNA)
where:
Base-Base interactions energy: -41.204
where: short stacking energy: -36.372
Base-Backbone interact. energy: -0.511
local terms energy: -54.961143
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -78.730139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730139 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -18.464
Base-Backbone interact. energy: -0.191
local terms energy: -47.844970
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -125.805863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.805863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.805863 (E_RNA)
where:
Base-Base interactions energy: -75.625
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.600
local terms energy: -49.580575
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -6.219
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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -85.957517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.957517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.957517 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.347
local terms energy: -49.918119
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -230.717661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.717661 (E_RNA)
where:
Base-Base interactions energy: -152.654
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.509
local terms energy: -77.555085
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -214.420980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.420980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420980 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -64.951
Base-Backbone interact. energy: 1.736
local terms energy: -70.652995
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -197.735071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.735071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.735071 (E_RNA)
where:
Base-Base interactions energy: -117.025
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.001
local terms energy: -80.709084
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -209.024704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.024704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.024704 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.146
local terms energy: -67.097671
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -190.452757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.452757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.452757 (E_RNA)
where:
Base-Base interactions energy: -124.575
where: short stacking energy: -59.495
Base-Backbone interact. energy: -1.253
local terms energy: -64.625263
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -180.585429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.585429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.585429 (E_RNA)
where:
Base-Base interactions energy: -112.591
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.076
local terms energy: -67.918358
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -96.162856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.162856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.162856 (E_RNA)
where:
Base-Base interactions energy: -43.651
where: short stacking energy: -40.368
Base-Backbone interact. energy: 0.115
local terms energy: -52.626894
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -94.932526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.932526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.932526 (E_RNA)
where:
Base-Base interactions energy: -48.259
where: short stacking energy: -46.733
Base-Backbone interact. energy: 0.955
local terms energy: -47.628404
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: 1.168
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -140.924735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.924735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.924735 (E_RNA)
where:
Base-Base interactions energy: -82.403
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.352
local terms energy: -58.170226
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -71.880880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.880880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.880880 (E_RNA)
where:
Base-Base interactions energy: -29.811
where: short stacking energy: -21.768
Base-Backbone interact. energy: -0.063
local terms energy: -42.006952
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -227.608862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.608862 (E_RNA)
where:
Base-Base interactions energy: -147.784
where: short stacking energy: -69.758
Base-Backbone interact. energy: 1.337
local terms energy: -81.161584
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -212.183265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.183265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.183265 (E_RNA)
where:
Base-Base interactions energy: -146.252
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.195
local terms energy: -65.736743
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -184.188153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.188153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.188153 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.157
local terms energy: -68.602393
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.934
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: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -205.368748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.368748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.368748 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.236
local terms energy: -67.796430
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -189.998301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.998301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.998301 (E_RNA)
where:
Base-Base interactions energy: -130.740
where: short stacking energy: -71.894
Base-Backbone interact. energy: -1.678
local terms energy: -57.580684
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -0.332
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -97.340769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.340769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.340769 (E_RNA)
where:
Base-Base interactions energy: -47.038
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.186
local terms energy: -50.115936
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -143.152185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.152185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.152185 (E_RNA)
where:
Base-Base interactions energy: -92.186
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.030
local terms energy: -50.936251
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -13.262
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: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -94.386209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.386209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.386209 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -34.453
Base-Backbone interact. energy: 2.365
local terms energy: -56.317981
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -81.915893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.915893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.915893 (E_RNA)
where:
Base-Base interactions energy: -30.936
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.283
local terms energy: -50.696957
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -74.507919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.507919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.507919 (E_RNA)
where:
Base-Base interactions energy: -33.402
where: short stacking energy: -24.736
Base-Backbone interact. energy: -0.402
local terms energy: -40.703663
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -6.739
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -220.949264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.949264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949264 (E_RNA)
where:
Base-Base interactions energy: -152.272
where: short stacking energy: -68.431
Base-Backbone interact. energy: 2.299
local terms energy: -70.976182
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -230.981386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.981386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.981386 (E_RNA)
where:
Base-Base interactions energy: -158.861
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.300
local terms energy: -71.820620
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -219.024741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.024741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.024741 (E_RNA)
where:
Base-Base interactions energy: -149.122
where: short stacking energy: -62.944
Base-Backbone interact. energy: 0.207
local terms energy: -70.110453
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -205.418284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.418284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.418284 (E_RNA)
where:
Base-Base interactions energy: -132.185
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.405
local terms energy: -72.828291
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -19.225
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: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -192.679641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.679641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.679641 (E_RNA)
where:
Base-Base interactions energy: -122.201
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.937
local terms energy: -69.542017
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -114.870316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.870316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.870316 (E_RNA)
where:
Base-Base interactions energy: -45.962
where: short stacking energy: -38.533
Base-Backbone interact. energy: -0.045
local terms energy: -68.863270
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -165.885038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.885038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.885038 (E_RNA)
where:
Base-Base interactions energy: -102.611
where: short stacking energy: -42.298
Base-Backbone interact. energy: -1.456
local terms energy: -61.818210
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -86.799527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.799527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.799527 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -31.887
Base-Backbone interact. energy: 0.769
local terms energy: -55.680807
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -79.271718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.271718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.271718 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.187
local terms energy: -51.576661
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -78.084770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084770 (E_RNA)
where:
Base-Base interactions energy: -24.284
where: short stacking energy: -24.284
Base-Backbone interact. energy: 2.307
local terms energy: -56.107860
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.919
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: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -218.829661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.829661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.829661 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -61.171
Base-Backbone interact. energy: 0.046
local terms energy: -69.639860
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.594
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: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -228.391287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.391287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.391287 (E_RNA)
where:
Base-Base interactions energy: -156.075
where: short stacking energy: -65.820
Base-Backbone interact. energy: 0.122
local terms energy: -72.438240
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -226.003871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.003871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003871 (E_RNA)
where:
Base-Base interactions energy: -156.930
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.903
local terms energy: -68.170631
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -190.625302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.625302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.625302 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -40.906
Base-Backbone interact. energy: -0.849
local terms energy: -62.140657
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -182.601662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.601662 (E_RNA)
where:
Base-Base interactions energy: -116.876
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.002
local terms energy: -65.724454
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -183.971971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.971971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.971971 (E_RNA)
where:
Base-Base interactions energy: -126.885
where: short stacking energy: -61.253
Base-Backbone interact. energy: 0.032
local terms energy: -57.118308
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -88.778431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.778431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.778431 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.106
local terms energy: -45.862264
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: 1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -85.038417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038417 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.089
local terms energy: -57.458813
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -84.535674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.535674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.535674 (E_RNA)
where:
Base-Base interactions energy: -29.708
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.641
local terms energy: -54.186534
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.937061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.937061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.937061 (E_RNA)
where:
Base-Base interactions energy: -26.610
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.191
local terms energy: -47.136307
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: 5.011
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: 288
Temperature: 0.900000
Total energy: -227.278782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.278782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.278782 (E_RNA)
where:
Base-Base interactions energy: -159.287
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.218
local terms energy: -67.773356
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -13.675
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -215.638769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.638769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.638769 (E_RNA)
where:
Base-Base interactions energy: -148.379
where: short stacking energy: -61.632
Base-Backbone interact. energy: -0.248
local terms energy: -67.011973
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -214.336550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.336550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.336550 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.821
local terms energy: -69.812968
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -217.942773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.942773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.942773 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -63.138
Base-Backbone interact. energy: -1.601
local terms energy: -69.713283
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -183.793980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.793980 (E_RNA)
where:
Base-Base interactions energy: -118.823
where: short stacking energy: -56.324
Base-Backbone interact. energy: 1.421
local terms energy: -66.392284
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -14.390
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: 288
Temperature: 1.150000
Total energy: -181.949013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.949013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.949013 (E_RNA)
where:
Base-Base interactions energy: -108.614
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.191
local terms energy: -73.144189
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -90.798285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.798285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.798285 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -33.939
Base-Backbone interact. energy: -0.174
local terms energy: -52.923503
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -87.116890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116890 (E_RNA)
where:
Base-Base interactions energy: -39.144
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.175
local terms energy: -47.797808
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -3.736
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -85.062322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062322 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -29.988
Base-Backbone interact. energy: -0.102
local terms energy: -54.972154
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -4.776
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: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -99.895624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.895624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.895624 (E_RNA)
where:
Base-Base interactions energy: -39.992
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.063
local terms energy: -59.841408
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -231.717640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.717640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.717640 (E_RNA)
where:
Base-Base interactions energy: -154.787
where: short stacking energy: -67.919
Base-Backbone interact. energy: -1.241
local terms energy: -75.690221
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -206.218719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.218719 (E_RNA)
where:
Base-Base interactions energy: -132.842
where: short stacking energy: -69.909
Base-Backbone interact. energy: -1.234
local terms energy: -72.142044
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -16.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -208.960298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.960298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.960298 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -61.032
Base-Backbone interact. energy: -0.356
local terms energy: -65.574792
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.225
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -217.091922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.091922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.091922 (E_RNA)
where:
Base-Base interactions energy: -152.532
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.257
local terms energy: -64.303087
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -180.565224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.565224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.565224 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -54.365
Base-Backbone interact. energy: 1.940
local terms energy: -69.254970
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -109.117724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117724 (E_RNA)
where:
Base-Base interactions energy: -47.628
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.153
local terms energy: -61.337058
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -151.421189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.421189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.421189 (E_RNA)
where:
Base-Base interactions energy: -89.920
where: short stacking energy: -44.570
Base-Backbone interact. energy: -1.534
local terms energy: -59.967015
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.743949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.743949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.743949 (E_RNA)
where:
Base-Base interactions energy: -39.339
where: short stacking energy: -25.700
Base-Backbone interact. energy: 0.256
local terms energy: -53.661263
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.720
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: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -87.867748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867748 (E_RNA)
where:
Base-Base interactions energy: -38.261
where: short stacking energy: -38.261
Base-Backbone interact. energy: -0.022
local terms energy: -49.584042
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.383112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.383112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.383112 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.055
local terms energy: -48.762655
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -0.982
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: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -217.878893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.878893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.878893 (E_RNA)
where:
Base-Base interactions energy: -139.236
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.318
local terms energy: -78.325058
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.446
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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -205.872748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.872748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.872748 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.077
local terms energy: -75.861532
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -218.391092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.391092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391092 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.256
local terms energy: -72.611783
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -203.766548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.766548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.766548 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.188
local terms energy: -58.707747
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -156.233519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.233519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.233519 (E_RNA)
where:
Base-Base interactions energy: -103.364
where: short stacking energy: -49.435
Base-Backbone interact. energy: -0.069
local terms energy: -52.799889
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -8.400
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -92.216619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.216619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.216619 (E_RNA)
where:
Base-Base interactions energy: -38.836
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.179
local terms energy: -53.201450
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -172.473128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.473128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.473128 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.207
local terms energy: -62.787868
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -109.143658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.143658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.143658 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -49.966
Base-Backbone interact. energy: -0.001
local terms energy: -59.176286
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -90.074685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074685 (E_RNA)
where:
Base-Base interactions energy: -37.985
where: short stacking energy: -33.568
Base-Backbone interact. energy: -0.127
local terms energy: -51.963347
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -8.320
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: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -78.763865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.763865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.763865 (E_RNA)
where:
Base-Base interactions energy: -24.942
where: short stacking energy: -27.642
Base-Backbone interact. energy: -0.059
local terms energy: -53.762722
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.134
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: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -231.628815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.628815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.628815 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.337
local terms energy: -71.792347
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -225.917333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.917333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.917333 (E_RNA)
where:
Base-Base interactions energy: -145.133
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.333
local terms energy: -80.450944
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -215.358588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.358588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.358588 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -70.681
Base-Backbone interact. energy: -0.290
local terms energy: -73.649968
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -216.577207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.577207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.577207 (E_RNA)
where:
Base-Base interactions energy: -145.575
where: short stacking energy: -64.172
Base-Backbone interact. energy: 0.384
local terms energy: -71.386316
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -172.195157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.195157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.195157 (E_RNA)
where:
Base-Base interactions energy: -106.931
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.126
local terms energy: -65.138026
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -179.228610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228610 (E_RNA)
where:
Base-Base interactions energy: -109.169
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.341
local terms energy: -69.718801
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -83.945719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.945719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.945719 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.923
local terms energy: -41.196366
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -93.813921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813921 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.199
local terms energy: -47.615638
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -82.045923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.045923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.045923 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.210
local terms energy: -50.147270
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -75.070673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.070673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.070673 (E_RNA)
where:
Base-Base interactions energy: -22.019
where: short stacking energy: -18.946
Base-Backbone interact. energy: 0.076
local terms energy: -53.127898
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -232.315550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.315550 (E_RNA)
where:
Base-Base interactions energy: -158.059
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.264
local terms energy: -73.992246
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -233.110058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.110058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.110058 (E_RNA)
where:
Base-Base interactions energy: -166.679
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.454
local terms energy: -65.976730
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -219.230642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.230642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.230642 (E_RNA)
where:
Base-Base interactions energy: -144.219
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.291
local terms energy: -74.720067
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -213.628121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.628121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.628121 (E_RNA)
where:
Base-Base interactions energy: -146.443
where: short stacking energy: -72.834
Base-Backbone interact. energy: -0.007
local terms energy: -67.178589
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -19.051
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: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -184.924310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.924310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.924310 (E_RNA)
where:
Base-Base interactions energy: -114.547
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.097
local terms energy: -70.279966
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -162.960166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.960166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.960166 (E_RNA)
where:
Base-Base interactions energy: -102.608
where: short stacking energy: -56.451
Base-Backbone interact. energy: -0.064
local terms energy: -60.288683
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -97.965342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965342 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -36.410
Base-Backbone interact. energy: -0.114
local terms energy: -54.352601
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.341
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: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -85.251713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251713 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.171
local terms energy: -53.350975
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -75.080757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.080757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.080757 (E_RNA)
where:
Base-Base interactions energy: -25.029
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.025
local terms energy: -50.027380
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -81.927163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927163 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.230
local terms energy: -44.587117
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -224.862862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.862862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.862862 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.662
local terms energy: -69.438733
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.902
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -227.568354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.568354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.568354 (E_RNA)
where:
Base-Base interactions energy: -165.814
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.908
local terms energy: -60.847200
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -214.963266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.963266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.963266 (E_RNA)
where:
Base-Base interactions energy: -143.131
where: short stacking energy: -66.748
Base-Backbone interact. energy: 0.118
local terms energy: -71.950031
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -200.384033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.384033 (E_RNA)
where:
Base-Base interactions energy: -134.885
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.000
local terms energy: -65.498990
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -183.996784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.996784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.996784 (E_RNA)
where:
Base-Base interactions energy: -118.862
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.100
local terms energy: -65.035256
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -8.368
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -167.161686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.161686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.161686 (E_RNA)
where:
Base-Base interactions energy: -99.853
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.512
local terms energy: -66.796870
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -87.065087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065087 (E_RNA)
where:
Base-Base interactions energy: -31.152
where: short stacking energy: -26.878
Base-Backbone interact. energy: -0.114
local terms energy: -55.799795
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -1.924
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -78.321287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.321287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.321287 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -28.865
Base-Backbone interact. energy: 4.310
local terms energy: -49.235838
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -83.903491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.903491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.903491 (E_RNA)
where:
Base-Base interactions energy: -23.863
where: short stacking energy: -23.853
Base-Backbone interact. energy: -0.070
local terms energy: -59.970152
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -74.913503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.913503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.913503 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.259
local terms energy: -40.170316
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -227.169789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.169789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.169789 (E_RNA)
where:
Base-Base interactions energy: -155.438
where: short stacking energy: -56.714
Base-Backbone interact. energy: -1.209
local terms energy: -70.522675
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -15.729
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: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -223.866112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.866112 (E_RNA)
where:
Base-Base interactions energy: -152.707
where: short stacking energy: -65.149
Base-Backbone interact. energy: 1.783
local terms energy: -72.941783
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -219.173131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173131 (E_RNA)
where:
Base-Base interactions energy: -153.814
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.904
local terms energy: -64.454418
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.611
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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -212.633769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.633769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.633769 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.220
local terms energy: -74.153035
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -188.993963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.993963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.993963 (E_RNA)
where:
Base-Base interactions energy: -122.582
where: short stacking energy: -42.321
Base-Backbone interact. energy: -0.227
local terms energy: -66.185329
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -12.618
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: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -159.978508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.978508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.978508 (E_RNA)
where:
Base-Base interactions energy: -99.248
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.516
local terms energy: -60.214530
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -101.986025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.986025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.986025 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -47.701
Base-Backbone interact. energy: -0.029
local terms energy: -54.256032
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -10.358
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: 294
Temperature: 1.250000
Total energy: -81.218319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.218319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.218319 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.518
local terms energy: -45.133533
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -1.509
tors. eta vs tors. theta energy: -5.173
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: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -86.953882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.953882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.953882 (E_RNA)
where:
Base-Base interactions energy: -43.277
where: short stacking energy: -26.671
Base-Backbone interact. energy: -0.332
local terms energy: -43.344295
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -80.203163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.203163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.203163 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -28.721
Base-Backbone interact. energy: 0.998
local terms energy: -52.480318
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -226.202958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.202958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.202958 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -60.326
Base-Backbone interact. energy: -0.805
local terms energy: -61.351909
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -222.146103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.146103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.146103 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.153
local terms energy: -76.633484
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -219.064294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.064294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.064294 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -66.938
Base-Backbone interact. energy: -0.912
local terms energy: -77.912083
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -19.354
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: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -207.450181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.450181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.450181 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.048
local terms energy: -79.693927
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -186.784290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.784290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.784290 (E_RNA)
where:
Base-Base interactions energy: -112.435
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.754
local terms energy: -73.595096
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -153.902616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.902616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.902616 (E_RNA)
where:
Base-Base interactions energy: -89.561
where: short stacking energy: -40.520
Base-Backbone interact. energy: -0.781
local terms energy: -63.560332
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -86.154484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.154484 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -19.849
Base-Backbone interact. energy: -0.374
local terms energy: -53.170357
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -84.791328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.791328 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.151
local terms energy: -49.814717
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -5.080
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: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -94.617911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617911 (E_RNA)
where:
Base-Base interactions energy: -46.536
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.449
local terms energy: -47.632849
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -6.331
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.318923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318923 (E_RNA)
where:
Base-Base interactions energy: -48.047
where: short stacking energy: -26.585
Base-Backbone interact. energy: 0.767
local terms energy: -33.039333
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -3.388
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -223.199875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.199875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.199875 (E_RNA)
where:
Base-Base interactions energy: -147.750
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.121
local terms energy: -75.328893
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -224.497971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.497971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.497971 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.395
local terms energy: -64.317872
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -210.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.955241 (E_RNA)
where:
Base-Base interactions energy: -146.710
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.963
local terms energy: -63.283140
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -209.919682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.919682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919682 (E_RNA)
where:
Base-Base interactions energy: -131.631
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.348
local terms energy: -77.941405
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -19.760
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: 296
Temperature: 1.100000
Total energy: -197.519433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.519433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.519433 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.308
local terms energy: -70.939932
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -157.609928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.609928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.609928 (E_RNA)
where:
Base-Base interactions energy: -98.162
where: short stacking energy: -40.671
Base-Backbone interact. energy: -0.331
local terms energy: -59.117097
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -6.835
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -98.444037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.444037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.444037 (E_RNA)
where:
Base-Base interactions energy: -38.759
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.567
local terms energy: -59.118587
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -11.646
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: 296
Temperature: 1.250000
Total energy: -94.664842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.664842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.664842 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.435
local terms energy: -45.801552
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -80.835444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.835444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.835444 (E_RNA)
where:
Base-Base interactions energy: -28.337
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.221
local terms energy: -52.278149
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -10.509
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: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.976847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976847 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -23.453
Base-Backbone interact. energy: 0.486
local terms energy: -50.023679
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -2.548
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: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -222.440479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440479 (E_RNA)
where:
Base-Base interactions energy: -150.552
where: short stacking energy: -67.138
Base-Backbone interact. energy: 0.652
local terms energy: -72.540761
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -223.538119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538119 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -69.174
Base-Backbone interact. energy: -0.464
local terms energy: -74.087203
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -19.978
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -219.332819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.332819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.332819 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.344
local terms energy: -66.893776
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -9.492
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: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -194.475863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.475863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.475863 (E_RNA)
where:
Base-Base interactions energy: -125.304
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.024
local terms energy: -69.147365
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -12.480
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: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -184.913342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.913342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.913342 (E_RNA)
where:
Base-Base interactions energy: -113.280
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.222
local terms energy: -71.411034
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -161.400366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.400366 (E_RNA)
where:
Base-Base interactions energy: -101.490
where: short stacking energy: -54.201
Base-Backbone interact. energy: -0.055
local terms energy: -59.855260
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -93.145345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145345 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -34.218
Base-Backbone interact. energy: -0.277
local terms energy: -50.692738
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -3.879
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -83.282772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.282772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.282772 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.136
local terms energy: -43.647905
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -82.256182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.256182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.256182 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.489
local terms energy: -47.136126
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -76.937787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.937787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.937787 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -19.229
Base-Backbone interact. energy: -0.685
local terms energy: -40.750507
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -8.044
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: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -225.930545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.930545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.930545 (E_RNA)
where:
Base-Base interactions energy: -152.469
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.277
local terms energy: -73.184883
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.582
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: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -226.808656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.808656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.808656 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.397
local terms energy: -69.607158
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -204.719653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.719653 (E_RNA)
where:
Base-Base interactions energy: -130.271
where: short stacking energy: -65.370
Base-Backbone interact. energy: -0.101
local terms energy: -74.347813
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -206.434817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.434817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.434817 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.253
local terms energy: -64.469481
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -193.520262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.520262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.520262 (E_RNA)
where:
Base-Base interactions energy: -126.338
where: short stacking energy: -45.480
Base-Backbone interact. energy: -0.581
local terms energy: -66.601927
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -166.746050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.746050 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -47.160
Base-Backbone interact. energy: -0.003
local terms energy: -56.810696
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -87.483241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.483241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.483241 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.359
local terms energy: -48.328407
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -86.661291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.661291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.661291 (E_RNA)
where:
Base-Base interactions energy: -37.527
where: short stacking energy: -37.414
Base-Backbone interact. energy: -0.002
local terms energy: -49.132645
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -77.182224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.182224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.182224 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.307
local terms energy: -47.831363
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -77.863483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.863483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.863483 (E_RNA)
where:
Base-Base interactions energy: -30.721
where: short stacking energy: -29.451
Base-Backbone interact. energy: -0.288
local terms energy: -46.854150
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.198
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: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -223.152200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.152200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.152200 (E_RNA)
where:
Base-Base interactions energy: -156.789
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.197
local terms energy: -66.166069
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -231.942742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.942742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.942742 (E_RNA)
where:
Base-Base interactions energy: -157.458
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.376
local terms energy: -74.108985
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -196.740834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.740834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.740834 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.926
local terms energy: -59.473240
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -219.032620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.032620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032620 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.241
local terms energy: -77.651215
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -16.147
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: 299
Temperature: 1.100000
Total energy: -193.561034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561034 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.960
local terms energy: -70.355310
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -178.455237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.455237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.455237 (E_RNA)
where:
Base-Base interactions energy: -111.664
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.123
local terms energy: -66.668039
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -94.342040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342040 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -36.735
Base-Backbone interact. energy: -0.118
local terms energy: -57.218611
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -75.361893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.361893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.361893 (E_RNA)
where:
Base-Base interactions energy: -26.420
where: short stacking energy: -22.713
Base-Backbone interact. energy: -0.241
local terms energy: -48.700943
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -86.421733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421733 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -36.303
Base-Backbone interact. energy: -0.164
local terms energy: -48.250652
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.954668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.954668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.954668 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.455
local terms energy: -44.376547
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -232.507400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.507400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.507400 (E_RNA)
where:
Base-Base interactions energy: -154.524
where: short stacking energy: -65.247
Base-Backbone interact. energy: -1.228
local terms energy: -76.755506
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -213.965305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.965305 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.304
local terms energy: -67.548685
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -212.972580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.972580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.972580 (E_RNA)
where:
Base-Base interactions energy: -139.065
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.154
local terms energy: -73.753377
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -200.587719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.587719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.587719 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -60.660
Base-Backbone interact. energy: 0.221
local terms energy: -73.626732
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -182.449441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449441 (E_RNA)
where:
Base-Base interactions energy: -114.999
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.683
local terms energy: -66.767407
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -159.706923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.706923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.706923 (E_RNA)
where:
Base-Base interactions energy: -108.309
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.054
local terms energy: -51.343172
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -10.798
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: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -98.225601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.225601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.225601 (E_RNA)
where:
Base-Base interactions energy: -43.643
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.542
local terms energy: -54.040130
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -96.444402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.444402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.444402 (E_RNA)
where:
Base-Base interactions energy: -52.704
where: short stacking energy: -27.230
Base-Backbone interact. energy: 0.664
local terms energy: -44.405211
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -78.294185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.294185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.294185 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -20.381
Base-Backbone interact. energy: 0.444
local terms energy: -47.824722
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -78.802534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802534 (E_RNA)
where:
Base-Base interactions energy: -23.163
where: short stacking energy: -23.163
Base-Backbone interact. energy: -0.090
local terms energy: -55.549902
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.626
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: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -232.671705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.671705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.671705 (E_RNA)
where:
Base-Base interactions energy: -155.461
where: short stacking energy: -69.940
Base-Backbone interact. energy: -0.354
local terms energy: -76.856850
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -220.480936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.480936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.480936 (E_RNA)
where:
Base-Base interactions energy: -148.664
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.217
local terms energy: -71.599265
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -210.068109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.068109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.068109 (E_RNA)
where:
Base-Base interactions energy: -142.687
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.191
local terms energy: -67.190464
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -209.999083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.999083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.999083 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -74.150
Base-Backbone interact. energy: -0.471
local terms energy: -72.449030
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -164.509808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.509808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.509808 (E_RNA)
where:
Base-Base interactions energy: -103.956
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.186
local terms energy: -60.367840
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -168.350712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.350712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.350712 (E_RNA)
where:
Base-Base interactions energy: -102.689
where: short stacking energy: -49.288
Base-Backbone interact. energy: 0.595
local terms energy: -66.256194
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -92.945217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945217 (E_RNA)
where:
Base-Base interactions energy: -41.171
where: short stacking energy: -39.703
Base-Backbone interact. energy: -0.174
local terms energy: -51.600144
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -7.410
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: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -85.141407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.141407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.141407 (E_RNA)
where:
Base-Base interactions energy: -36.257
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.138
local terms energy: -48.746805
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -90.351475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.351475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.351475 (E_RNA)
where:
Base-Base interactions energy: -48.333
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.601
local terms energy: -41.417628
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -0.567
tors. eta vs tors. theta energy: 1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -75.584513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.584513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.584513 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.026
local terms energy: -52.367003
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -231.822482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.822482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.822482 (E_RNA)
where:
Base-Base interactions energy: -156.746
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.363
local terms energy: -74.713203
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -220.189493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.189493 (E_RNA)
where:
Base-Base interactions energy: -151.036
where: short stacking energy: -68.187
Base-Backbone interact. energy: -0.124
local terms energy: -69.029378
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -207.770739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.770739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.770739 (E_RNA)
where:
Base-Base interactions energy: -139.077
where: short stacking energy: -55.219
Base-Backbone interact. energy: -1.504
local terms energy: -67.189876
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -14.271
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: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -211.408707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.408707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.408707 (E_RNA)
where:
Base-Base interactions energy: -136.976
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.752
local terms energy: -73.680782
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -17.949
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: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -165.556873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.556873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.556873 (E_RNA)
where:
Base-Base interactions energy: -104.477
where: short stacking energy: -41.834
Base-Backbone interact. energy: 0.605
local terms energy: -61.684746
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -13.463
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: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -160.533011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.533011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.533011 (E_RNA)
where:
Base-Base interactions energy: -96.523
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.249
local terms energy: -63.761294
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -155.564860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.564860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.564860 (E_RNA)
where:
Base-Base interactions energy: -102.123
where: short stacking energy: -50.891
Base-Backbone interact. energy: -0.348
local terms energy: -53.094257
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -81.385136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.385136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.385136 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.392
local terms energy: -50.381761
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -86.357778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357778 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -25.731
Base-Backbone interact. energy: 0.015
local terms energy: -54.715265
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -100.443893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.443893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.443893 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -28.184
Base-Backbone interact. energy: -0.193
local terms energy: -59.610726
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -228.323545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.323545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.323545 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.462
local terms energy: -73.074945
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -212.591546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.591546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.591546 (E_RNA)
where:
Base-Base interactions energy: -151.167
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.072
local terms energy: -61.352739
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -217.790751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.790751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.790751 (E_RNA)
where:
Base-Base interactions energy: -140.803
where: short stacking energy: -64.284
Base-Backbone interact. energy: -0.795
local terms energy: -76.191959
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -195.652675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.652675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.652675 (E_RNA)
where:
Base-Base interactions energy: -124.307
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.017
local terms energy: -71.327956
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.561
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: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -175.479606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.479606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.479606 (E_RNA)
where:
Base-Base interactions energy: -109.621
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.083
local terms energy: -65.776421
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -15.897
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -163.926445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.926445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.926445 (E_RNA)
where:
Base-Base interactions energy: -107.165
where: short stacking energy: -44.984
Base-Backbone interact. energy: -0.748
local terms energy: -56.013038
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -10.946
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: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -158.319001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.319001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.319001 (E_RNA)
where:
Base-Base interactions energy: -90.366
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.207
local terms energy: -67.746592
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -89.834563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.834563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.834563 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.503
local terms energy: -57.439173
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -84.484795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.484795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.484795 (E_RNA)
where:
Base-Base interactions energy: -34.948
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.147
local terms energy: -49.389359
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -81.073797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073797 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -20.209
Base-Backbone interact. energy: -0.437
local terms energy: -44.861036
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -221.429866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.429866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.429866 (E_RNA)
where:
Base-Base interactions energy: -148.946
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.148
local terms energy: -72.335716
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.630
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: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -222.595352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.595352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.595352 (E_RNA)
where:
Base-Base interactions energy: -152.940
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.960
local terms energy: -68.694661
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -214.956965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.956965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.956965 (E_RNA)
where:
Base-Base interactions energy: -143.172
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.340
local terms energy: -71.445170
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -201.040381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.040381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.040381 (E_RNA)
where:
Base-Base interactions energy: -130.834
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.295
local terms energy: -69.912071
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -12.223
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: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -180.166670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.166670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.166670 (E_RNA)
where:
Base-Base interactions energy: -114.122
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.868
local terms energy: -65.176708
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -172.137439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.137439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.137439 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -40.848
Base-Backbone interact. energy: -0.270
local terms energy: -56.781746
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -147.647413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.647413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.647413 (E_RNA)
where:
Base-Base interactions energy: -96.033
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.111
local terms energy: -51.503384
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -9.625
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: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -95.097218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.097218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.097218 (E_RNA)
where:
Base-Base interactions energy: -33.428
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.130
local terms energy: -61.539413
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -12.218
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -97.009464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.009464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.009464 (E_RNA)
where:
Base-Base interactions energy: -46.103
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.306
local terms energy: -50.600250
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.775877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775877 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.312
local terms energy: -45.747537
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.030
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: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -221.685592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.685592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.685592 (E_RNA)
where:
Base-Base interactions energy: -147.884
where: short stacking energy: -57.494
Base-Backbone interact. energy: -0.132
local terms energy: -73.669907
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -15.736
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: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -221.112095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112095 (E_RNA)
where:
Base-Base interactions energy: -151.775
where: short stacking energy: -66.654
Base-Backbone interact. energy: 0.495
local terms energy: -69.832223
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -214.947899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.947899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.947899 (E_RNA)
where:
Base-Base interactions energy: -144.674
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.607
local terms energy: -69.667422
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -216.627110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627110 (E_RNA)
where:
Base-Base interactions energy: -134.876
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.001
local terms energy: -81.750277
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -196.953301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.953301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.953301 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.006
local terms energy: -70.097412
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -187.022331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.022331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.022331 (E_RNA)
where:
Base-Base interactions energy: -120.574
where: short stacking energy: -55.467
Base-Backbone interact. energy: -0.623
local terms energy: -65.826263
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -153.939110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.939110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.939110 (E_RNA)
where:
Base-Base interactions energy: -100.298
where: short stacking energy: -36.694
Base-Backbone interact. energy: -0.806
local terms energy: -52.834844
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -9.792
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: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -83.752616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752616 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -36.845
Base-Backbone interact. energy: 0.667
local terms energy: -47.574672
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.592396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.592396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.592396 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -32.194
Base-Backbone interact. energy: 0.280
local terms energy: -53.657367
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.291
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -75.648647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.648647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.648647 (E_RNA)
where:
Base-Base interactions energy: -28.815
where: short stacking energy: -24.500
Base-Backbone interact. energy: 2.195
local terms energy: -49.028378
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -4.690
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: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -228.800862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.800862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.800862 (E_RNA)
where:
Base-Base interactions energy: -154.099
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.066
local terms energy: -74.636247
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -222.669819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669819 (E_RNA)
where:
Base-Base interactions energy: -153.902
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.111
local terms energy: -68.657127
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -212.127368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127368 (E_RNA)
where:
Base-Base interactions energy: -132.295
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.269
local terms energy: -79.563024
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -202.110267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.110267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.110267 (E_RNA)
where:
Base-Base interactions energy: -130.291
where: short stacking energy: -67.955
Base-Backbone interact. energy: -0.016
local terms energy: -71.803881
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -17.432
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -185.503997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.503997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.503997 (E_RNA)
where:
Base-Base interactions energy: -117.861
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.571
local terms energy: -67.072121
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -173.273901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.273901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.273901 (E_RNA)
where:
Base-Base interactions energy: -103.289
where: short stacking energy: -52.313
Base-Backbone interact. energy: 0.204
local terms energy: -70.188867
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -17.866
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: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -151.819522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.819522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.819522 (E_RNA)
where:
Base-Base interactions energy: -94.183
where: short stacking energy: -43.199
Base-Backbone interact. energy: -1.124
local terms energy: -56.512342
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -104.167212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.167212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.167212 (E_RNA)
where:
Base-Base interactions energy: -51.317
where: short stacking energy: -27.880
Base-Backbone interact. energy: 0.362
local terms energy: -53.212149
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -87.755171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.755171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.755171 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.188
local terms energy: -46.328665
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -91.240780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240780 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -37.774
Base-Backbone interact. energy: 3.117
local terms energy: -54.034560
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -223.319366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.319366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.319366 (E_RNA)
where:
Base-Base interactions energy: -154.681
where: short stacking energy: -67.411
Base-Backbone interact. energy: 3.188
local terms energy: -71.826084
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -14.963
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: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -231.885383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.885383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885383 (E_RNA)
where:
Base-Base interactions energy: -160.023
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.574
local terms energy: -71.287666
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.258
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -214.652637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652637 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.199
local terms energy: -72.990734
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -191.704403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.704403 (E_RNA)
where:
Base-Base interactions energy: -121.515
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.295
local terms energy: -69.894289
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -14.028
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -183.974977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.974977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.974977 (E_RNA)
where:
Base-Base interactions energy: -113.368
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.099
local terms energy: -70.508103
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -170.682999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682999 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -48.351
Base-Backbone interact. energy: -0.316
local terms energy: -64.823688
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -12.442
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: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -160.629293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.629293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.629293 (E_RNA)
where:
Base-Base interactions energy: -104.016
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.084
local terms energy: -56.529615
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -85.219818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.219818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.219818 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.613
local terms energy: -49.170429
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -75.456491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456491 (E_RNA)
where:
Base-Base interactions energy: -21.981
where: short stacking energy: -21.981
Base-Backbone interact. energy: -0.387
local terms energy: -53.088125
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.334
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: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.648436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.648436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.648436 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -27.703
Base-Backbone interact. energy: 0.030
local terms energy: -50.126401
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -228.462378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.462378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.462378 (E_RNA)
where:
Base-Base interactions energy: -162.072
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.426
local terms energy: -65.964291
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.785
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: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -222.969239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.969239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.969239 (E_RNA)
where:
Base-Base interactions energy: -152.412
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.027
local terms energy: -70.530331
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -223.987033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.987033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.987033 (E_RNA)
where:
Base-Base interactions energy: -148.732
where: short stacking energy: -68.274
Base-Backbone interact. energy: 0.075
local terms energy: -75.330753
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -191.320506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320506 (E_RNA)
where:
Base-Base interactions energy: -128.609
where: short stacking energy: -57.358
Base-Backbone interact. energy: -1.131
local terms energy: -61.579971
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.330
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: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -193.427765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.427765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.427765 (E_RNA)
where:
Base-Base interactions energy: -125.120
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.003
local terms energy: -68.304836
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -154.319625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.319625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.319625 (E_RNA)
where:
Base-Base interactions energy: -97.243
where: short stacking energy: -46.295
Base-Backbone interact. energy: -0.586
local terms energy: -56.491460
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -167.172430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.172430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.172430 (E_RNA)
where:
Base-Base interactions energy: -117.584
where: short stacking energy: -51.055
Base-Backbone interact. energy: 0.384
local terms energy: -49.972724
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.054645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054645 (E_RNA)
where:
Base-Base interactions energy: -50.214
where: short stacking energy: -33.359
Base-Backbone interact. energy: 3.627
local terms energy: -45.467860
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.803269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.803269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.803269 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -31.646
Base-Backbone interact. energy: -0.354
local terms energy: -45.723885
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -3.476
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -81.507225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507225 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -22.474
Base-Backbone interact. energy: -0.159
local terms energy: -50.342761
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -218.587021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.587021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.587021 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.150
local terms energy: -66.383833
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -13.140
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: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -219.808040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.808040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.808040 (E_RNA)
where:
Base-Base interactions energy: -146.960
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.051
local terms energy: -72.796340
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -225.305320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.305320 (E_RNA)
where:
Base-Base interactions energy: -155.558
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.374
local terms energy: -69.373583
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -191.938757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.938757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.938757 (E_RNA)
where:
Base-Base interactions energy: -125.165
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.157
local terms energy: -66.616294
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -19.679
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: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -187.304654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.304654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.304654 (E_RNA)
where:
Base-Base interactions energy: -122.796
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.476
local terms energy: -64.032093
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -188.902136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.902136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.902136 (E_RNA)
where:
Base-Base interactions energy: -117.680
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.070
local terms energy: -71.152531
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.002
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: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -153.994193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.994193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.994193 (E_RNA)
where:
Base-Base interactions energy: -95.880
where: short stacking energy: -39.707
Base-Backbone interact. energy: -0.280
local terms energy: -57.834073
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -7.842
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: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -88.016898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.016898 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.355
local terms energy: -49.073822
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.836
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: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -81.335814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335814 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -32.866
Base-Backbone interact. energy: -0.834
local terms energy: -46.696084
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -77.914409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.914409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.914409 (E_RNA)
where:
Base-Base interactions energy: -27.888
where: short stacking energy: -18.754
Base-Backbone interact. energy: -0.760
local terms energy: -49.266621
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -216.003833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.003833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.003833 (E_RNA)
where:
Base-Base interactions energy: -140.768
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.252
local terms energy: -74.983325
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -16.609
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -224.344227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.344227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.344227 (E_RNA)
where:
Base-Base interactions energy: -158.632
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.429
local terms energy: -65.283055
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -214.428860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.428860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.428860 (E_RNA)
where:
Base-Base interactions energy: -139.192
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.331
local terms energy: -74.906161
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -185.496018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.496018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496018 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.015
local terms energy: -68.260564
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -18.622
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -206.272772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272772 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -71.195
Base-Backbone interact. energy: -1.399
local terms energy: -76.361157
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -176.735815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.735815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.735815 (E_RNA)
where:
Base-Base interactions energy: -104.225
where: short stacking energy: -52.305
Base-Backbone interact. energy: -0.001
local terms energy: -72.510002
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -165.821558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.821558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.821558 (E_RNA)
where:
Base-Base interactions energy: -105.674
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.217
local terms energy: -59.930349
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -11.437
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: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -82.549022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549022 (E_RNA)
where:
Base-Base interactions energy: -31.182
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.068
local terms energy: -51.298517
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -9.697
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -84.898170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.898170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.898170 (E_RNA)
where:
Base-Base interactions energy: -42.413
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.226
local terms energy: -42.259617
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -77.520060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.520060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.520060 (E_RNA)
where:
Base-Base interactions energy: -35.622
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.143
local terms energy: -41.754895
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -2.513
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: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -222.934016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.934016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.934016 (E_RNA)
where:
Base-Base interactions energy: -147.759
where: short stacking energy: -71.010
Base-Backbone interact. energy: -0.094
local terms energy: -75.080602
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -232.298495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.298495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.298495 (E_RNA)
where:
Base-Base interactions energy: -161.023
where: short stacking energy: -66.847
Base-Backbone interact. energy: 0.248
local terms energy: -71.523838
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -213.898223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.898223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.898223 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -62.365
Base-Backbone interact. energy: 1.803
local terms energy: -70.713650
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -211.520209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.520209 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -70.900
Base-Backbone interact. energy: -0.806
local terms energy: -71.004361
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -20.542
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -180.091852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.091852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.091852 (E_RNA)
where:
Base-Base interactions energy: -123.191
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.059
local terms energy: -56.841520
where:
bonds (distance) C4'-P energy: -5.586
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -175.980518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.980518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.980518 (E_RNA)
where:
Base-Base interactions energy: -109.641
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.283
local terms energy: -66.056510
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -151.410482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.410482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.410482 (E_RNA)
where:
Base-Base interactions energy: -91.665
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.340
local terms energy: -59.405867
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -7.761
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: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -80.450637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.450637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.450637 (E_RNA)
where:
Base-Base interactions energy: -29.414
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.469
local terms energy: -50.567320
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -11.381
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -85.443843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.443843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.443843 (E_RNA)
where:
Base-Base interactions energy: -27.151
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.154
local terms energy: -58.139505
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -80.839088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839088 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.080
local terms energy: -50.926730
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -9.403
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: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -235.160099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.160099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.160099 (E_RNA)
where:
Base-Base interactions energy: -166.110
where: short stacking energy: -68.283
Base-Backbone interact. energy: -0.085
local terms energy: -68.965036
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -7.884
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: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -224.541229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.541229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.541229 (E_RNA)
where:
Base-Base interactions energy: -147.382
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.070
local terms energy: -77.089841
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -204.897911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.897911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.897911 (E_RNA)
where:
Base-Base interactions energy: -134.058
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.519
local terms energy: -70.321397
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -210.650408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.650408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.650408 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.145
local terms energy: -69.269904
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -189.705163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.705163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.705163 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.139
local terms energy: -62.829345
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -9.294
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: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -175.325809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.325809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.325809 (E_RNA)
where:
Base-Base interactions energy: -117.501
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.002
local terms energy: -57.822397
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -12.530
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -171.102474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.102474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.102474 (E_RNA)
where:
Base-Base interactions energy: -102.612
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.276
local terms energy: -68.213966
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.380
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: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -93.416311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.416311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.416311 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -27.824
Base-Backbone interact. energy: -0.156
local terms energy: -56.286512
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -74.766132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.766132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.766132 (E_RNA)
where:
Base-Base interactions energy: -27.025
where: short stacking energy: -24.801
Base-Backbone interact. energy: 0.129
local terms energy: -47.870127
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -80.414851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.414851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.414851 (E_RNA)
where:
Base-Base interactions energy: -32.215
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.248
local terms energy: -47.952156
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -234.904366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.904366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.904366 (E_RNA)
where:
Base-Base interactions energy: -164.804
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.884
local terms energy: -69.215620
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -214.772891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.772891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.772891 (E_RNA)
where:
Base-Base interactions energy: -147.918
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.283
local terms energy: -66.571390
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -15.792
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -196.214564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.214564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.214564 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -58.487
Base-Backbone interact. energy: 0.748
local terms energy: -71.295559
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -15.030
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: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -208.553181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553181 (E_RNA)
where:
Base-Base interactions energy: -140.359
where: short stacking energy: -58.563
Base-Backbone interact. energy: 0.100
local terms energy: -68.293998
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -170.398493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.398493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.398493 (E_RNA)
where:
Base-Base interactions energy: -101.342
where: short stacking energy: -36.736
Base-Backbone interact. energy: -0.366
local terms energy: -68.690497
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -150.973988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.973988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.973988 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.073
local terms energy: -58.969338
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -176.560328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.560328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.560328 (E_RNA)
where:
Base-Base interactions energy: -112.075
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.405
local terms energy: -64.080096
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -88.760429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760429 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.007
local terms energy: -55.105100
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -94.210403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.210403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.210403 (E_RNA)
where:
Base-Base interactions energy: -49.867
where: short stacking energy: -17.994
Base-Backbone interact. energy: 0.436
local terms energy: -44.779473
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -82.994811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.994811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.994811 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.243
local terms energy: -40.598161
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -224.803834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.803834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.803834 (E_RNA)
where:
Base-Base interactions energy: -148.512
where: short stacking energy: -65.123
Base-Backbone interact. energy: -2.290
local terms energy: -74.001681
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -224.140511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140511 (E_RNA)
where:
Base-Base interactions energy: -160.204
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.233
local terms energy: -63.703748
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -202.790012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.790012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.790012 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.119
local terms energy: -67.687877
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -199.225516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225516 (E_RNA)
where:
Base-Base interactions energy: -127.000
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.343
local terms energy: -71.882434
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -177.006203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.006203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.006203 (E_RNA)
where:
Base-Base interactions energy: -102.929
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.354
local terms energy: -73.723473
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -157.266979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.266979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.266979 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.353
local terms energy: -61.375297
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -9.198
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -170.369808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.369808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.369808 (E_RNA)
where:
Base-Base interactions energy: -111.210
where: short stacking energy: -47.705
Base-Backbone interact. energy: -0.844
local terms energy: -58.315418
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -10.975
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: 314
Temperature: 1.250000
Total energy: -82.444324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.444324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.444324 (E_RNA)
where:
Base-Base interactions energy: -34.061
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.021
local terms energy: -48.361579
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -6.697
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: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -108.779797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.779797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.779797 (E_RNA)
where:
Base-Base interactions energy: -58.544
where: short stacking energy: -28.125
Base-Backbone interact. energy: -0.592
local terms energy: -49.644168
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -102.534218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.534218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.534218 (E_RNA)
where:
Base-Base interactions energy: -55.982
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.021
local terms energy: -46.531935
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -2.948
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: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -224.385274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.385274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.385274 (E_RNA)
where:
Base-Base interactions energy: -146.611
where: short stacking energy: -70.822
Base-Backbone interact. energy: -1.250
local terms energy: -76.524674
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -234.882439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.882439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.882439 (E_RNA)
where:
Base-Base interactions energy: -161.699
where: short stacking energy: -68.764
Base-Backbone interact. energy: -0.171
local terms energy: -73.012723
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -204.201435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.201435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.201435 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.024
local terms energy: -66.917605
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -14.080
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: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -188.792894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.792894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792894 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.027
local terms energy: -68.609807
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -206.153767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153767 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.684
local terms energy: -66.902510
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -174.196256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.196256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.196256 (E_RNA)
where:
Base-Base interactions energy: -113.071
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.023
local terms energy: -61.101559
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -154.075819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.075819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.075819 (E_RNA)
where:
Base-Base interactions energy: -93.553
where: short stacking energy: -43.692
Base-Backbone interact. energy: -0.647
local terms energy: -59.875351
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -89.456297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.456297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.456297 (E_RNA)
where:
Base-Base interactions energy: -48.438
where: short stacking energy: -24.352
Base-Backbone interact. energy: 2.802
local terms energy: -43.820124
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -84.216932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216932 (E_RNA)
where:
Base-Base interactions energy: -30.530
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.170
local terms energy: -53.517013
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -82.493675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493675 (E_RNA)
where:
Base-Base interactions energy: -45.016
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.181
local terms energy: -37.297287
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -233.619329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.619329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.619329 (E_RNA)
where:
Base-Base interactions energy: -161.863
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.659
local terms energy: -71.097389
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -217.086016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.086016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.086016 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.164
local terms energy: -65.064662
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.416
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: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -213.097717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.097717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.097717 (E_RNA)
where:
Base-Base interactions energy: -139.815
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.182
local terms energy: -73.101246
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.746
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: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -197.103551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.103551 (E_RNA)
where:
Base-Base interactions energy: -123.687
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.645
local terms energy: -72.771121
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -202.785974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.785974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.785974 (E_RNA)
where:
Base-Base interactions energy: -131.291
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.372
local terms energy: -71.123089
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -9.208
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -178.314875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.314875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.314875 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.111
local terms energy: -59.486570
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -14.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -154.284525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.284525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.284525 (E_RNA)
where:
Base-Base interactions energy: -92.466
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.500
local terms energy: -61.318530
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -130.542840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.542840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.542840 (E_RNA)
where:
Base-Base interactions energy: -66.530
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.005
local terms energy: -64.007980
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -82.738965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.738965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.738965 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -25.039
Base-Backbone interact. energy: -0.391
local terms energy: -48.894433
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -73.412196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.412196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.412196 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -25.128
Base-Backbone interact. energy: 1.157
local terms energy: -42.253206
where:
bonds (distance) C4'-P energy: -7.637
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -230.306111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.306111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.306111 (E_RNA)
where:
Base-Base interactions energy: -166.962
where: short stacking energy: -63.353
Base-Backbone interact. energy: 0.061
local terms energy: -63.405299
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -213.086838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.086838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086838 (E_RNA)
where:
Base-Base interactions energy: -143.700
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.136
local terms energy: -69.251521
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.624
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: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -219.906281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.906281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.906281 (E_RNA)
where:
Base-Base interactions energy: -150.423
where: short stacking energy: -68.169
Base-Backbone interact. energy: 0.559
local terms energy: -70.041776
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.125
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: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -208.155010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.155010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.155010 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.004
local terms energy: -73.723687
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -169.928647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.928647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.928647 (E_RNA)
where:
Base-Base interactions energy: -112.511
where: short stacking energy: -53.147
Base-Backbone interact. energy: -0.188
local terms energy: -57.230442
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -164.445320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.445320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.445320 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -47.034
Base-Backbone interact. energy: -0.043
local terms energy: -66.561695
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -121.720270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.720270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.720270 (E_RNA)
where:
Base-Base interactions energy: -69.419
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.521
local terms energy: -51.781182
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -92.475636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475636 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.045
local terms energy: -56.337106
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -152.509967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.509967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.509967 (E_RNA)
where:
Base-Base interactions energy: -100.282
where: short stacking energy: -51.348
Base-Backbone interact. energy: -0.062
local terms energy: -52.165566
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -86.003257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003257 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -25.723
Base-Backbone interact. energy: -0.756
local terms energy: -44.511973
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -229.155236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.155236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.155236 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.554
local terms energy: -68.866187
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.228
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: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -217.170625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.170625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.170625 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.186
local terms energy: -74.153424
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -221.949743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.949743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.949743 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.691
local terms energy: -66.763022
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -7.592
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: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -215.250509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.250509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.250509 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.220
local terms energy: -78.267274
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -166.216134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.216134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.216134 (E_RNA)
where:
Base-Base interactions energy: -95.990
where: short stacking energy: -55.033
Base-Backbone interact. energy: 0.731
local terms energy: -70.957698
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -150.930195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.930195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.930195 (E_RNA)
where:
Base-Base interactions energy: -95.616
where: short stacking energy: -47.675
Base-Backbone interact. energy: -1.414
local terms energy: -53.900909
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -100.672390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672390 (E_RNA)
where:
Base-Base interactions energy: -50.587
where: short stacking energy: -30.404
Base-Backbone interact. energy: -1.424
local terms energy: -48.661398
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -7.797
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: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -91.004785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004785 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -34.093
Base-Backbone interact. energy: 0.763
local terms energy: -56.696376
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.862
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: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -105.927992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.927992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.927992 (E_RNA)
where:
Base-Base interactions energy: -66.248
where: short stacking energy: -29.885
Base-Backbone interact. energy: 0.064
local terms energy: -39.743935
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -81.362936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362936 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.229
local terms energy: -47.966613
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -221.908527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.908527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.908527 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.225
local terms energy: -65.595194
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -217.843469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843469 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -67.875
Base-Backbone interact. energy: 0.735
local terms energy: -74.900750
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -212.342582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342582 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.252
local terms energy: -65.264503
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -211.783683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.783683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.783683 (E_RNA)
where:
Base-Base interactions energy: -139.299
where: short stacking energy: -65.738
Base-Backbone interact. energy: -0.196
local terms energy: -72.288477
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -17.386
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: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -150.523283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.523283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.523283 (E_RNA)
where:
Base-Base interactions energy: -86.749
where: short stacking energy: -42.388
Base-Backbone interact. energy: -0.170
local terms energy: -63.604261
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -103.888240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.888240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.888240 (E_RNA)
where:
Base-Base interactions energy: -48.874
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.045
local terms energy: -54.968815
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -153.591588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.591588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.591588 (E_RNA)
where:
Base-Base interactions energy: -89.134
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.062
local terms energy: -64.395181
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -88.340073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.340073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.340073 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.154
local terms energy: -49.997893
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -79.917134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.917134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.917134 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.322
local terms energy: -46.681939
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -88.439617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.439617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.439617 (E_RNA)
where:
Base-Base interactions energy: -43.062
where: short stacking energy: -38.286
Base-Backbone interact. energy: 0.511
local terms energy: -45.889007
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -221.342747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.342747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.342747 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.423
local terms energy: -76.727268
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -19.016
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: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -228.383290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.383290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.383290 (E_RNA)
where:
Base-Base interactions energy: -159.753
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.458
local terms energy: -68.172444
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -212.493436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.493436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.493436 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.140
local terms energy: -75.380759
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -214.483027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.483027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.483027 (E_RNA)
where:
Base-Base interactions energy: -143.791
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.269
local terms energy: -70.422942
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -189.114866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.114866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.114866 (E_RNA)
where:
Base-Base interactions energy: -123.073
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.537
local terms energy: -65.504550
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -109.153655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.153655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.153655 (E_RNA)
where:
Base-Base interactions energy: -43.888
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.023
local terms energy: -65.242509
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -114.785620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.785620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.785620 (E_RNA)
where:
Base-Base interactions energy: -62.087
where: short stacking energy: -37.254
Base-Backbone interact. energy: -0.061
local terms energy: -52.637972
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -87.613038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613038 (E_RNA)
where:
Base-Base interactions energy: -27.004
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.112
local terms energy: -60.497765
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -83.502613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.502613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.502613 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -15.726
Base-Backbone interact. energy: -0.424
local terms energy: -46.585428
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: 3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.125473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.125473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.125473 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -22.947
Base-Backbone interact. energy: -1.158
local terms energy: -41.670886
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -221.062627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.062627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.062627 (E_RNA)
where:
Base-Base interactions energy: -150.122
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.382
local terms energy: -70.558629
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -16.234
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: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -222.700572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.700572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.700572 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -59.404
Base-Backbone interact. energy: 1.293
local terms energy: -61.724990
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -211.815496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.815496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.815496 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.028
local terms energy: -74.063736
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -216.439131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.439131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.439131 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.311
local terms energy: -73.197419
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -189.271239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.271239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.271239 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.560
local terms energy: -68.152897
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -109.340477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.340477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.340477 (E_RNA)
where:
Base-Base interactions energy: -45.876
where: short stacking energy: -41.509
Base-Backbone interact. energy: -0.625
local terms energy: -62.839087
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.774
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: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -105.657167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.657167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.657167 (E_RNA)
where:
Base-Base interactions energy: -49.284
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.009
local terms energy: -56.364566
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -5.933
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: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -83.188960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.188960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.188960 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.059
local terms energy: -54.090253
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -74.931689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.931689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.931689 (E_RNA)
where:
Base-Base interactions energy: -24.705
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.128
local terms energy: -50.098797
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -87.678140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.678140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.678140 (E_RNA)
where:
Base-Base interactions energy: -38.390
where: short stacking energy: -37.747
Base-Backbone interact. energy: 1.203
local terms energy: -50.490350
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -3.897
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: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -228.585665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.585665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.585665 (E_RNA)
where:
Base-Base interactions energy: -157.771
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.364
local terms energy: -70.450091
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -215.506168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.506168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.506168 (E_RNA)
where:
Base-Base interactions energy: -145.595
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.363
local terms energy: -69.548054
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -222.285865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.285865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.285865 (E_RNA)
where:
Base-Base interactions energy: -145.512
where: short stacking energy: -65.132
Base-Backbone interact. energy: 0.546
local terms energy: -77.319621
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -17.071
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -221.436766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.436766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.436766 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.030
local terms energy: -75.580355
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -22.920
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -187.556834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.556834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.556834 (E_RNA)
where:
Base-Base interactions energy: -116.328
where: short stacking energy: -57.919
Base-Backbone interact. energy: 0.184
local terms energy: -71.413438
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -139.973411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.973411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.973411 (E_RNA)
where:
Base-Base interactions energy: -85.416
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.157
local terms energy: -54.400604
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -8.612
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: 322
Temperature: 1.200000
Total energy: -104.364303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364303 (E_RNA)
where:
Base-Base interactions energy: -59.769
where: short stacking energy: -22.481
Base-Backbone interact. energy: -0.063
local terms energy: -44.532055
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: 1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -89.166976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.166976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.166976 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -28.078
Base-Backbone interact. energy: -0.142
local terms energy: -58.521973
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -6.188
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: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -100.700185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.700185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.700185 (E_RNA)
where:
Base-Base interactions energy: -54.050
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.367
local terms energy: -46.283481
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.309385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.309385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.309385 (E_RNA)
where:
Base-Base interactions energy: -25.876
where: short stacking energy: -23.373
Base-Backbone interact. energy: -0.095
local terms energy: -51.338769
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -229.780401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.780401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.780401 (E_RNA)
where:
Base-Base interactions energy: -163.527
where: short stacking energy: -61.586
Base-Backbone interact. energy: 0.168
local terms energy: -66.421782
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -221.370869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.370869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.370869 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.191
local terms energy: -69.281955
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -15.809
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: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -221.001037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.001037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.001037 (E_RNA)
where:
Base-Base interactions energy: -148.185
where: short stacking energy: -60.158
Base-Backbone interact. energy: -0.338
local terms energy: -72.477868
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -12.146
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: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -172.992669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.992669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.992669 (E_RNA)
where:
Base-Base interactions energy: -102.013
where: short stacking energy: -50.328
Base-Backbone interact. energy: -1.212
local terms energy: -69.767179
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -197.720786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.720786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.720786 (E_RNA)
where:
Base-Base interactions energy: -127.023
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.613
local terms energy: -70.084729
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -18.145
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -162.527780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.527780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.527780 (E_RNA)
where:
Base-Base interactions energy: -101.429
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.034
local terms energy: -61.064613
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -113.530899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.530899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.530899 (E_RNA)
where:
Base-Base interactions energy: -53.896
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.062
local terms energy: -59.573480
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -12.628
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -81.277601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.277601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.277601 (E_RNA)
where:
Base-Base interactions energy: -32.938
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.243
local terms energy: -48.095928
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -86.796752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796752 (E_RNA)
where:
Base-Base interactions energy: -45.015
where: short stacking energy: -27.989
Base-Backbone interact. energy: 0.247
local terms energy: -42.028563
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -70.630865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.630865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.630865 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -24.330
Base-Backbone interact. energy: -0.223
local terms energy: -42.904016
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -3.906
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: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -228.142278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142278 (E_RNA)
where:
Base-Base interactions energy: -158.111
where: short stacking energy: -55.895
Base-Backbone interact. energy: 1.364
local terms energy: -71.394561
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -224.045839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.045839 (E_RNA)
where:
Base-Base interactions energy: -150.021
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.223
local terms energy: -73.802070
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -215.044892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.044892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.044892 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.034
local terms energy: -69.432389
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -176.803532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.803532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.803532 (E_RNA)
where:
Base-Base interactions energy: -113.573
where: short stacking energy: -53.707
Base-Backbone interact. energy: 0.551
local terms energy: -63.782350
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -8.185
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -194.747459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.747459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.747459 (E_RNA)
where:
Base-Base interactions energy: -120.758
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.164
local terms energy: -73.825297
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -159.709508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.709508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.709508 (E_RNA)
where:
Base-Base interactions energy: -95.153
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.455
local terms energy: -64.101803
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -15.936
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -103.880187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.880187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.880187 (E_RNA)
where:
Base-Base interactions energy: -50.716
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.414
local terms energy: -52.749897
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -5.993
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: 324
Temperature: 1.250000
Total energy: -84.639229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639229 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -29.248
Base-Backbone interact. energy: 0.046
local terms energy: -44.105833
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -4.069
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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -90.813148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.813148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.813148 (E_RNA)
where:
Base-Base interactions energy: -38.780
where: short stacking energy: -19.621
Base-Backbone interact. energy: 0.043
local terms energy: -52.076405
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -6.128
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: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -81.059513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.059513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.059513 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.187
local terms energy: -42.769833
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -4.657
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: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -231.142120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.142120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.142120 (E_RNA)
where:
Base-Base interactions energy: -162.738
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.305
local terms energy: -68.099077
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -215.934115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.934115 (E_RNA)
where:
Base-Base interactions energy: -151.892
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.161
local terms energy: -63.881106
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -213.938101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.938101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.938101 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -68.196
Base-Backbone interact. energy: 0.858
local terms energy: -69.873276
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -204.978981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.978981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.978981 (E_RNA)
where:
Base-Base interactions energy: -136.879
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.220
local terms energy: -67.879872
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -171.470732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.470732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.470732 (E_RNA)
where:
Base-Base interactions energy: -105.583
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.091
local terms energy: -65.797484
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -152.073817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.073817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.073817 (E_RNA)
where:
Base-Base interactions energy: -89.474
where: short stacking energy: -39.937
Base-Backbone interact. energy: 0.033
local terms energy: -62.633030
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -11.405
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: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -91.479811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479811 (E_RNA)
where:
Base-Base interactions energy: -35.589
where: short stacking energy: -29.405
Base-Backbone interact. energy: -0.059
local terms energy: -55.831291
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.314
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: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -77.904341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904341 (E_RNA)
where:
Base-Base interactions energy: -21.480
where: short stacking energy: -19.769
Base-Backbone interact. energy: -0.093
local terms energy: -56.331553
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -75.377772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.377772 (E_RNA)
where:
Base-Base interactions energy: -29.575
where: short stacking energy: -24.394
Base-Backbone interact. energy: 0.592
local terms energy: -46.394389
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -81.898008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.898008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.898008 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.003
local terms energy: -47.295124
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -226.651710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.651710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.651710 (E_RNA)
where:
Base-Base interactions energy: -159.599
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.479
local terms energy: -66.572948
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -226.707485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.707485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.707485 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -65.296
Base-Backbone interact. energy: 0.034
local terms energy: -79.058128
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -16.732
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -200.033681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.033681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033681 (E_RNA)
where:
Base-Base interactions energy: -127.847
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.009
local terms energy: -72.177706
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -217.835841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.835841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.835841 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.407
local terms energy: -70.724328
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -189.641913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.641913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.641913 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.168
local terms energy: -72.903647
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -20.007
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: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -161.953122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.953122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.953122 (E_RNA)
where:
Base-Base interactions energy: -98.447
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.127
local terms energy: -63.379024
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -94.547433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.547433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.547433 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -37.276
Base-Backbone interact. energy: -0.185
local terms energy: -57.086324
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -86.933791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933791 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.066
local terms energy: -49.040288
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -91.694956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.694956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.694956 (E_RNA)
where:
Base-Base interactions energy: -40.089
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.159
local terms energy: -51.446442
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.233
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -78.600726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.600726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.600726 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.706
local terms energy: -39.628409
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -4.127
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: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -229.911868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911868 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.440
local terms energy: -70.393526
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.875
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: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -214.568039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.568039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.568039 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.473
local terms energy: -77.928542
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -220.515786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.515786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.515786 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.707
local terms energy: -71.576070
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -197.865685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.865685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.865685 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -65.142
Base-Backbone interact. energy: -0.248
local terms energy: -68.761759
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -210.727063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727063 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -63.633
Base-Backbone interact. energy: 0.236
local terms energy: -67.647421
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -152.762086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.762086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.762086 (E_RNA)
where:
Base-Base interactions energy: -93.049
where: short stacking energy: -40.783
Base-Backbone interact. energy: -0.313
local terms energy: -59.399684
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -96.278262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.278262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.278262 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -31.878
Base-Backbone interact. energy: 0.092
local terms energy: -56.633923
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -83.915609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.915609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.915609 (E_RNA)
where:
Base-Base interactions energy: -31.554
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.477
local terms energy: -51.884423
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -6.263
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: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -95.288005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288005 (E_RNA)
where:
Base-Base interactions energy: -39.220
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.234
local terms energy: -55.834306
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -75.634955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.634955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.634955 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.135
local terms energy: -47.469739
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -231.563988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.563988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.563988 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.001
local terms energy: -77.451683
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -22.322
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: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -230.435715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.435715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.435715 (E_RNA)
where:
Base-Base interactions energy: -166.327
where: short stacking energy: -62.896
Base-Backbone interact. energy: 0.010
local terms energy: -64.119154
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -216.276570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.276570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.276570 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.406
local terms energy: -64.723324
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.214
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: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -195.954158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.954158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954158 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.064
local terms energy: -73.864380
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -205.729664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.729664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.729664 (E_RNA)
where:
Base-Base interactions energy: -136.399
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.144
local terms energy: -69.186316
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -8.813
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -154.501782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.501782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.501782 (E_RNA)
where:
Base-Base interactions energy: -85.278
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.002
local terms energy: -69.222059
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -93.160758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160758 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.199
local terms energy: -52.810372
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -85.461462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461462 (E_RNA)
where:
Base-Base interactions energy: -33.171
where: short stacking energy: -22.223
Base-Backbone interact. energy: -0.403
local terms energy: -51.887186
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.872164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.872164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.872164 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -29.930
Base-Backbone interact. energy: -0.239
local terms energy: -56.703335
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -6.385
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: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -80.509207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509207 (E_RNA)
where:
Base-Base interactions energy: -50.948
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.089
local terms energy: -29.472166
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -5.389
flat angles P-C4'-P energy: 2.000
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -220.366335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.366335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.366335 (E_RNA)
where:
Base-Base interactions energy: -143.452
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.295
local terms energy: -76.618919
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -224.724586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.724586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.724586 (E_RNA)
where:
Base-Base interactions energy: -154.105
where: short stacking energy: -66.489
Base-Backbone interact. energy: 0.080
local terms energy: -70.700171
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -221.681339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.681339 (E_RNA)
where:
Base-Base interactions energy: -154.433
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.784
local terms energy: -66.464244
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -211.045625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045625 (E_RNA)
where:
Base-Base interactions energy: -139.119
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.218
local terms energy: -71.708326
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -195.077813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.077813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.077813 (E_RNA)
where:
Base-Base interactions energy: -123.765
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.126
local terms energy: -71.186789
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.902
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: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -174.199062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.199062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.199062 (E_RNA)
where:
Base-Base interactions energy: -103.675
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.173
local terms energy: -70.351306
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -14.070
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: 329
Temperature: 1.200000
Total energy: -93.848378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848378 (E_RNA)
where:
Base-Base interactions energy: -47.969
where: short stacking energy: -42.329
Base-Backbone interact. energy: 2.284
local terms energy: -48.163126
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -96.593121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.593121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.593121 (E_RNA)
where:
Base-Base interactions energy: -35.905
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.028
local terms energy: -60.660891
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -84.980767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.980767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.980767 (E_RNA)
where:
Base-Base interactions energy: -45.984
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.940
local terms energy: -38.057086
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -81.866074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866074 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -19.272
Base-Backbone interact. energy: 1.132
local terms energy: -52.900870
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -229.755967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.755967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.755967 (E_RNA)
where:
Base-Base interactions energy: -153.073
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.251
local terms energy: -76.432564
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -210.762344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.762344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.762344 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.520
local terms energy: -75.293351
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -227.589514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.589514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.589514 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -60.813
Base-Backbone interact. energy: 1.490
local terms energy: -76.280661
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -209.505539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.505539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.505539 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.101
local terms energy: -69.861445
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -176.887767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.887767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.887767 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.159
local terms energy: -69.702100
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -181.093258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.093258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.093258 (E_RNA)
where:
Base-Base interactions energy: -113.583
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.030
local terms energy: -67.480532
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -84.521875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521875 (E_RNA)
where:
Base-Base interactions energy: -41.120
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.262
local terms energy: -43.140119
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -1.803
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: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -100.560363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.560363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.560363 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -41.454
Base-Backbone interact. energy: -0.115
local terms energy: -58.991128
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -100.679852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679852 (E_RNA)
where:
Base-Base interactions energy: -48.254
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.745
local terms energy: -51.680425
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.512
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: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -86.141586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.141586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.141586 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.208
local terms energy: -47.791810
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -223.036740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036740 (E_RNA)
where:
Base-Base interactions energy: -150.524
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.348
local terms energy: -72.164710
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.051
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: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -225.284484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.284484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.284484 (E_RNA)
where:
Base-Base interactions energy: -152.928
where: short stacking energy: -55.872
Base-Backbone interact. energy: 0.295
local terms energy: -72.650898
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -12.868
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: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -214.489118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489118 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -63.385
Base-Backbone interact. energy: -0.027
local terms energy: -76.305418
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -183.050240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.050240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.050240 (E_RNA)
where:
Base-Base interactions energy: -113.212
where: short stacking energy: -67.403
Base-Backbone interact. energy: 0.629
local terms energy: -70.467655
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.819
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -203.967172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967172 (E_RNA)
where:
Base-Base interactions energy: -145.387
where: short stacking energy: -54.769
Base-Backbone interact. energy: -0.332
local terms energy: -58.247941
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -181.599048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.599048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.599048 (E_RNA)
where:
Base-Base interactions energy: -116.222
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.797
local terms energy: -64.580210
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -16.128
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: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -102.013415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.013415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.013415 (E_RNA)
where:
Base-Base interactions energy: -50.175
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.398
local terms energy: -51.439938
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -4.111
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: 331
Temperature: 1.250000
Total energy: -84.393661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393661 (E_RNA)
where:
Base-Base interactions energy: -29.895
where: short stacking energy: -25.838
Base-Backbone interact. energy: 0.066
local terms energy: -54.565141
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -92.746390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746390 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.138
local terms energy: -55.641345
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.537
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: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.689938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689938 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.090
local terms energy: -46.427666
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -7.061
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: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -234.714578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.714578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.714578 (E_RNA)
where:
Base-Base interactions energy: -171.951
where: short stacking energy: -64.868
Base-Backbone interact. energy: 0.759
local terms energy: -63.522705
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -217.108924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.108924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.108924 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.295
local terms energy: -66.417217
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -213.994934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.994934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.994934 (E_RNA)
where:
Base-Base interactions energy: -136.075
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.059
local terms energy: -77.860103
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -169.756496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.756496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.756496 (E_RNA)
where:
Base-Base interactions energy: -107.193
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.383
local terms energy: -62.180185
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -10.523
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: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -209.032894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.032894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.032894 (E_RNA)
where:
Base-Base interactions energy: -145.479
where: short stacking energy: -61.564
Base-Backbone interact. energy: 0.177
local terms energy: -63.730961
where:
bonds (distance) C4'-P energy: -6.737
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -179.146651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.146651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.146651 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -59.036
Base-Backbone interact. energy: -0.000
local terms energy: -66.723139
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -77.070218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.070218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.070218 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.276
local terms energy: -45.211061
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: 3.690
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: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -117.005495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.005495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.005495 (E_RNA)
where:
Base-Base interactions energy: -58.789
where: short stacking energy: -28.264
Base-Backbone interact. energy: -0.212
local terms energy: -58.004237
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.493737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.493737 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -34.335
Base-Backbone interact. energy: -0.099
local terms energy: -51.333642
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -74.400579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.400579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.400579 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -13.869
Base-Backbone interact. energy: -0.187
local terms energy: -45.661211
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -232.427379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.427379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.427379 (E_RNA)
where:
Base-Base interactions energy: -164.106
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.110
local terms energy: -68.211582
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -214.171695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.171695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.171695 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.009
local terms energy: -78.470195
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -214.572462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.572462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.572462 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -58.983
Base-Backbone interact. energy: 0.630
local terms energy: -70.960584
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -12.324
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -213.056752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.056752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.056752 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.005
local terms energy: -70.462296
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -166.426787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.426787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.426787 (E_RNA)
where:
Base-Base interactions energy: -109.123
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.133
local terms energy: -57.169867
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -173.122109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.122109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.122109 (E_RNA)
where:
Base-Base interactions energy: -111.231
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.120
local terms energy: -61.771704
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.319
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: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -95.568220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568220 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -36.502
Base-Backbone interact. energy: -0.116
local terms energy: -58.462006
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -93.278575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278575 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -31.404
Base-Backbone interact. energy: 0.131
local terms energy: -58.126020
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -85.738474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.738474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.738474 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.183
local terms energy: -53.605434
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.700830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.700830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.700830 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -32.440
Base-Backbone interact. energy: -0.027
local terms energy: -44.041940
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -4.930
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: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -214.408159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408159 (E_RNA)
where:
Base-Base interactions energy: -134.494
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.425
local terms energy: -79.489986
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -228.286940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.286940 (E_RNA)
where:
Base-Base interactions energy: -155.505
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.675
local terms energy: -72.106926
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -14.849
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: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -215.918007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.918007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.918007 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.274
local terms energy: -75.873565
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -205.887746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.887746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.887746 (E_RNA)
where:
Base-Base interactions energy: -136.299
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.707
local terms energy: -68.881122
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -179.403841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.403841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.403841 (E_RNA)
where:
Base-Base interactions energy: -114.415
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.456
local terms energy: -64.533150
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -163.315983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.315983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.315983 (E_RNA)
where:
Base-Base interactions energy: -98.413
where: short stacking energy: -50.550
Base-Backbone interact. energy: -0.216
local terms energy: -64.686960
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -87.806268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.806268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.806268 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -20.365
Base-Backbone interact. energy: -0.222
local terms energy: -53.252035
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -82.550197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.550197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.550197 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -34.510
Base-Backbone interact. energy: -0.071
local terms energy: -47.968839
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -90.836746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836746 (E_RNA)
where:
Base-Base interactions energy: -44.577
where: short stacking energy: -21.062
Base-Backbone interact. energy: -0.120
local terms energy: -46.139346
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: 4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.120968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.120968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.120968 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -23.949
Base-Backbone interact. energy: -0.345
local terms energy: -43.980124
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -215.942898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.942898 (E_RNA)
where:
Base-Base interactions energy: -144.258
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.094
local terms energy: -71.591721
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -219.906568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.906568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.906568 (E_RNA)
where:
Base-Base interactions energy: -152.580
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.662
local terms energy: -66.664252
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -218.637497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.637497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.637497 (E_RNA)
where:
Base-Base interactions energy: -145.051
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.136
local terms energy: -73.449840
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -212.264718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.264718 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -59.983
Base-Backbone interact. energy: -0.430
local terms energy: -70.182747
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.409
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: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -190.311465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.311465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.311465 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.705
local terms energy: -70.484517
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -157.247880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.247880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.247880 (E_RNA)
where:
Base-Base interactions energy: -91.461
where: short stacking energy: -46.511
Base-Backbone interact. energy: -0.142
local terms energy: -65.644098
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -90.135792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.135792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.135792 (E_RNA)
where:
Base-Base interactions energy: -39.155
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.112
local terms energy: -50.868065
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -7.528
flat angles P-C4'-P energy: -9.070
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: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -89.770596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.770596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.770596 (E_RNA)
where:
Base-Base interactions energy: -44.209
where: short stacking energy: -44.209
Base-Backbone interact. energy: 0.478
local terms energy: -46.039411
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -83.605062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.605062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.605062 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -28.545
Base-Backbone interact. energy: 0.400
local terms energy: -51.645230
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -76.805419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.805419 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.226
local terms energy: -48.125709
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -11.226
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -226.219957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.219957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.219957 (E_RNA)
where:
Base-Base interactions energy: -162.134
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.303
local terms energy: -63.782901
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -212.927754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.927754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927754 (E_RNA)
where:
Base-Base interactions energy: -139.942
where: short stacking energy: -72.152
Base-Backbone interact. energy: 0.402
local terms energy: -73.387540
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -11.675
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: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -228.182005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.182005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.182005 (E_RNA)
where:
Base-Base interactions energy: -162.683
where: short stacking energy: -62.685
Base-Backbone interact. energy: -0.182
local terms energy: -65.317125
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -213.305711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.305711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.305711 (E_RNA)
where:
Base-Base interactions energy: -149.155
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.333
local terms energy: -63.817700
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -197.802081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.802081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.802081 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.003
local terms energy: -76.110558
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -127.469445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.469445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.469445 (E_RNA)
where:
Base-Base interactions energy: -67.653
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.139
local terms energy: -59.677219
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.842
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -107.229467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.229467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.229467 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.317
local terms energy: -61.781913
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -85.341649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341649 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.493
local terms energy: -53.487594
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -84.078525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078525 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -34.305
Base-Backbone interact. energy: -0.259
local terms energy: -47.907209
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: 3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -75.580979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.580979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.580979 (E_RNA)
where:
Base-Base interactions energy: -25.124
where: short stacking energy: -24.755
Base-Backbone interact. energy: -0.226
local terms energy: -50.231116
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -229.497457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.497457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.497457 (E_RNA)
where:
Base-Base interactions energy: -161.412
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.363
local terms energy: -67.722660
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -224.102228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.102228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.102228 (E_RNA)
where:
Base-Base interactions energy: -155.193
where: short stacking energy: -65.695
Base-Backbone interact. energy: 0.813
local terms energy: -69.722034
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -205.618632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.618632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.618632 (E_RNA)
where:
Base-Base interactions energy: -133.326
where: short stacking energy: -60.006
Base-Backbone interact. energy: -0.012
local terms energy: -72.280288
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -198.279890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279890 (E_RNA)
where:
Base-Base interactions energy: -125.563
where: short stacking energy: -65.059
Base-Backbone interact. energy: -0.001
local terms energy: -72.715881
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -210.742365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.742365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.742365 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.177
local terms energy: -72.548327
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -122.479611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.479611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.479611 (E_RNA)
where:
Base-Base interactions energy: -70.055
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.437
local terms energy: -51.988047
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -89.226944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226944 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.318
local terms energy: -43.912286
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -8.346
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -85.461560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461560 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.179
local terms energy: -50.796574
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.974177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974177 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -26.251
Base-Backbone interact. energy: 0.713
local terms energy: -50.148244
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -85.421974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.421974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.421974 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -27.220
Base-Backbone interact. energy: -0.044
local terms energy: -54.076821
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -236.115736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.115736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.115736 (E_RNA)
where:
Base-Base interactions energy: -171.345
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.385
local terms energy: -64.386019
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -221.090922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.090922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.090922 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -65.352
Base-Backbone interact. energy: -0.252
local terms energy: -70.471220
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.011
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: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -198.294329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.294329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.294329 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.478
local terms energy: -70.206223
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.428
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: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -193.085716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085716 (E_RNA)
where:
Base-Base interactions energy: -121.592
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.378
local terms energy: -71.115826
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -17.656
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: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -209.028713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.028713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.028713 (E_RNA)
where:
Base-Base interactions energy: -138.257
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.092
local terms energy: -70.679942
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -118.074383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.074383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.074383 (E_RNA)
where:
Base-Base interactions energy: -71.278
where: short stacking energy: -41.981
Base-Backbone interact. energy: -0.266
local terms energy: -46.530918
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -4.417
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: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -108.298664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.298664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.298664 (E_RNA)
where:
Base-Base interactions energy: -48.517
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.209
local terms energy: -59.573241
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -93.894344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.894344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.894344 (E_RNA)
where:
Base-Base interactions energy: -47.783
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.698
local terms energy: -45.412616
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -0.579
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -83.907750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907750 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -17.635
Base-Backbone interact. energy: 0.298
local terms energy: -41.718634
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -81.832200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.832200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.832200 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -36.265
Base-Backbone interact. energy: -0.321
local terms energy: -45.245844
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -230.692343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.692343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.692343 (E_RNA)
where:
Base-Base interactions energy: -171.778
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.405
local terms energy: -58.509294
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -9.588
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: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -225.676604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.676604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.676604 (E_RNA)
where:
Base-Base interactions energy: -160.009
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.207
local terms energy: -65.460956
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -6.650
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: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -221.759640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.759640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.759640 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -77.499
Base-Backbone interact. energy: 1.817
local terms energy: -80.281839
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -204.193977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.193977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.193977 (E_RNA)
where:
Base-Base interactions energy: -138.643
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.541
local terms energy: -65.010468
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -187.926090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926090 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.009
local terms energy: -66.870350
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -91.066400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066400 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -26.927
Base-Backbone interact. energy: -0.341
local terms energy: -53.710388
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -5.551
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -153.780745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.780745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.780745 (E_RNA)
where:
Base-Base interactions energy: -84.152
where: short stacking energy: -48.800
Base-Backbone interact. energy: -0.248
local terms energy: -69.380920
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -84.108993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.108993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.108993 (E_RNA)
where:
Base-Base interactions energy: -30.911
where: short stacking energy: -22.356
Base-Backbone interact. energy: -0.125
local terms energy: -53.072451
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -78.732485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732485 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.022
local terms energy: -48.331586
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.367775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.367775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.367775 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -31.334
Base-Backbone interact. energy: 0.274
local terms energy: -44.762842
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -232.888825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.888825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.888825 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.277
local terms energy: -80.434706
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -208.092336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.092336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.092336 (E_RNA)
where:
Base-Base interactions energy: -149.764
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.178
local terms energy: -58.150423
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -207.198729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.198729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.198729 (E_RNA)
where:
Base-Base interactions energy: -130.062
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.838
local terms energy: -76.299421
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -203.431996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431996 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -58.414
Base-Backbone interact. energy: -0.407
local terms energy: -72.428215
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -190.542556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.542556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.542556 (E_RNA)
where:
Base-Base interactions energy: -120.616
where: short stacking energy: -59.435
Base-Backbone interact. energy: 0.177
local terms energy: -70.103609
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -116.557748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.557748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.557748 (E_RNA)
where:
Base-Base interactions energy: -53.898
where: short stacking energy: -42.043
Base-Backbone interact. energy: -0.103
local terms energy: -62.557090
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -9.296
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: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -100.022023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022023 (E_RNA)
where:
Base-Base interactions energy: -50.682
where: short stacking energy: -27.457
Base-Backbone interact. energy: -0.139
local terms energy: -49.200931
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -99.570891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.570891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.570891 (E_RNA)
where:
Base-Base interactions energy: -42.565
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.047
local terms energy: -56.959112
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -77.010813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.010813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.010813 (E_RNA)
where:
Base-Base interactions energy: -29.349
where: short stacking energy: -29.349
Base-Backbone interact. energy: -0.405
local terms energy: -47.256622
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.898
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -81.197619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197619 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -25.587
Base-Backbone interact. energy: -0.118
local terms energy: -44.881573
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -4.996
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: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -224.049319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.049319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.049319 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.218
local terms energy: -77.973811
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -12.415
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: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -217.575615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575615 (E_RNA)
where:
Base-Base interactions energy: -140.776
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.819
local terms energy: -75.980595
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -215.390956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.390956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.390956 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.361
local terms energy: -68.256013
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -11.786
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: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -192.736946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.736946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.736946 (E_RNA)
where:
Base-Base interactions energy: -123.780
where: short stacking energy: -65.661
Base-Backbone interact. energy: 0.919
local terms energy: -69.876519
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -203.700165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.700165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.700165 (E_RNA)
where:
Base-Base interactions energy: -135.008
where: short stacking energy: -69.523
Base-Backbone interact. energy: -1.770
local terms energy: -66.921488
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -158.086878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.086878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.086878 (E_RNA)
where:
Base-Base interactions energy: -95.505
where: short stacking energy: -46.331
Base-Backbone interact. energy: -0.177
local terms energy: -62.404594
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.233
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -95.161904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.161904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.161904 (E_RNA)
where:
Base-Base interactions energy: -47.827
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.776
local terms energy: -46.558644
where:
bonds (distance) C4'-P energy: -7.630
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -97.374580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374580 (E_RNA)
where:
Base-Base interactions energy: -45.568
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.262
local terms energy: -51.544827
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -72.241645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.241645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.241645 (E_RNA)
where:
Base-Base interactions energy: -23.496
where: short stacking energy: -15.541
Base-Backbone interact. energy: -0.468
local terms energy: -48.277747
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -77.445452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.445452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.445452 (E_RNA)
where:
Base-Base interactions energy: -26.421
where: short stacking energy: -20.934
Base-Backbone interact. energy: 0.472
local terms energy: -51.496837
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -5.494
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: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -217.592449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.592449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.592449 (E_RNA)
where:
Base-Base interactions energy: -151.281
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.378
local terms energy: -65.933323
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -219.315302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.315302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.315302 (E_RNA)
where:
Base-Base interactions energy: -143.786
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.016
local terms energy: -75.513769
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -219.227616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.227616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.227616 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.290
local terms energy: -68.875126
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -213.105357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.105357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.105357 (E_RNA)
where:
Base-Base interactions energy: -135.058
where: short stacking energy: -65.909
Base-Backbone interact. energy: -1.538
local terms energy: -76.509051
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -170.599993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.599993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.599993 (E_RNA)
where:
Base-Base interactions energy: -101.366
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.180
local terms energy: -69.053862
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -157.927328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.927328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.927328 (E_RNA)
where:
Base-Base interactions energy: -92.233
where: short stacking energy: -50.356
Base-Backbone interact. energy: 0.293
local terms energy: -65.987691
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -116.704376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.704376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.704376 (E_RNA)
where:
Base-Base interactions energy: -58.193
where: short stacking energy: -28.377
Base-Backbone interact. energy: -0.661
local terms energy: -57.850670
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -89.452233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452233 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -39.850
Base-Backbone interact. energy: -0.733
local terms energy: -48.868846
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -93.007069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.007069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.007069 (E_RNA)
where:
Base-Base interactions energy: -40.656
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.113
local terms energy: -52.238188
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -10.240
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: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -69.852623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.852623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.852623 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -15.439
Base-Backbone interact. energy: -0.148
local terms energy: -43.867800
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -216.001296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.001296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.001296 (E_RNA)
where:
Base-Base interactions energy: -134.698
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.272
local terms energy: -81.031027
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -11.817
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: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -226.861866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.861866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.861866 (E_RNA)
where:
Base-Base interactions energy: -159.192
where: short stacking energy: -57.911
Base-Backbone interact. energy: 0.330
local terms energy: -68.000804
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -11.815
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: 343
Temperature: 1.000000
Total energy: -216.386334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386334 (E_RNA)
where:
Base-Base interactions energy: -145.706
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.160
local terms energy: -70.519776
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -173.041753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.041753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041753 (E_RNA)
where:
Base-Base interactions energy: -111.015
where: short stacking energy: -51.948
Base-Backbone interact. energy: -0.108
local terms energy: -61.918701
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -11.231
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: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -177.938643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.938643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.938643 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.574
local terms energy: -53.248296
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -132.733409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.733409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.733409 (E_RNA)
where:
Base-Base interactions energy: -80.053
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.025
local terms energy: -52.655426
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.383
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -152.419023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.419023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.419023 (E_RNA)
where:
Base-Base interactions energy: -97.737
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.074
local terms energy: -54.607574
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -96.057829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.057829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.057829 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.108
local terms energy: -53.362404
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -86.779570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.779570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.779570 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.335
local terms energy: -47.937114
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.473
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: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -73.929209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.929209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.929209 (E_RNA)
where:
Base-Base interactions energy: -30.486
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.113
local terms energy: -43.330301
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -1.532
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: 344
Temperature: 0.900000
Total energy: -214.817651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.817651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.817651 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.000
local terms energy: -78.906298
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -13.093
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -227.594728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.594728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.594728 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -56.447
Base-Backbone interact. energy: -0.874
local terms energy: -67.264297
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -225.367299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.367299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.367299 (E_RNA)
where:
Base-Base interactions energy: -150.029
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.153
local terms energy: -75.185748
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -181.641495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.641495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.641495 (E_RNA)
where:
Base-Base interactions energy: -113.149
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.273
local terms energy: -68.219107
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -147.447894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.447894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.447894 (E_RNA)
where:
Base-Base interactions energy: -83.246
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.144
local terms energy: -64.057967
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -169.768861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.768861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.768861 (E_RNA)
where:
Base-Base interactions energy: -105.164
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.027
local terms energy: -64.578269
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -155.652722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.652722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.652722 (E_RNA)
where:
Base-Base interactions energy: -95.227
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.549
local terms energy: -59.877097
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -89.044975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044975 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.127
local terms energy: -55.003813
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -93.597935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.597935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.597935 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -23.564
Base-Backbone interact. energy: 0.109
local terms energy: -49.614587
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -91.726926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726926 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.033
local terms energy: -57.384764
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -10.532
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -215.587994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.587994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.587994 (E_RNA)
where:
Base-Base interactions energy: -134.182
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.252
local terms energy: -81.154164
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -215.653441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.653441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.653441 (E_RNA)
where:
Base-Base interactions energy: -148.091
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.021
local terms energy: -67.541377
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -222.134062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.134062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.134062 (E_RNA)
where:
Base-Base interactions energy: -151.309
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.568
local terms energy: -70.256769
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -169.534727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.534727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.534727 (E_RNA)
where:
Base-Base interactions energy: -112.223
where: short stacking energy: -46.318
Base-Backbone interact. energy: -0.181
local terms energy: -57.130004
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -5.002
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: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -156.793781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.793781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.793781 (E_RNA)
where:
Base-Base interactions energy: -96.277
where: short stacking energy: -40.043
Base-Backbone interact. energy: 0.330
local terms energy: -60.846228
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -164.391183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.391183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.391183 (E_RNA)
where:
Base-Base interactions energy: -99.814
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.364
local terms energy: -64.213530
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -10.022
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: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -171.042534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.042534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.042534 (E_RNA)
where:
Base-Base interactions energy: -110.310
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.169
local terms energy: -60.564053
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -14.677
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: 345
Temperature: 1.250000
Total energy: -85.659509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659509 (E_RNA)
where:
Base-Base interactions energy: -32.339
where: short stacking energy: -26.506
Base-Backbone interact. energy: -0.245
local terms energy: -53.075849
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -87.950911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.950911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.950911 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.198
local terms energy: -55.392273
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -7.778
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: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -91.433731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433731 (E_RNA)
where:
Base-Base interactions energy: -47.132
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.454
local terms energy: -43.847631
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -223.147593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.147593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.147593 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.465
local terms energy: -79.720119
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -212.341833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.341833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.341833 (E_RNA)
where:
Base-Base interactions energy: -136.548
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.004
local terms energy: -75.790365
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -18.886
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: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -220.982243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.982243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.982243 (E_RNA)
where:
Base-Base interactions energy: -149.674
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.410
local terms energy: -70.898207
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -207.369177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.369177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.369177 (E_RNA)
where:
Base-Base interactions energy: -133.994
where: short stacking energy: -72.967
Base-Backbone interact. energy: -0.003
local terms energy: -73.372424
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -161.929398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929398 (E_RNA)
where:
Base-Base interactions energy: -96.523
where: short stacking energy: -50.797
Base-Backbone interact. energy: -1.454
local terms energy: -63.952260
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -149.188505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.188505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.188505 (E_RNA)
where:
Base-Base interactions energy: -96.045
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.661
local terms energy: -52.482041
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -176.361384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.361384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.361384 (E_RNA)
where:
Base-Base interactions energy: -115.248
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.381
local terms energy: -60.732407
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -7.328
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -85.585702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.585702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.585702 (E_RNA)
where:
Base-Base interactions energy: -29.762
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.223
local terms energy: -55.600680
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -6.087
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: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -95.617133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.617133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.617133 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.204
local terms energy: -59.198948
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -8.927
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -70.761159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.761159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.761159 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.286
local terms energy: -38.172674
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -223.775387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.775387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.775387 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.306
local terms energy: -75.451235
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -217.810358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.810358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.810358 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.291
local terms energy: -67.341748
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -208.813713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.813713 (E_RNA)
where:
Base-Base interactions energy: -137.281
where: short stacking energy: -63.797
Base-Backbone interact. energy: -0.006
local terms energy: -71.527405
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -203.334830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.334830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.334830 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.003
local terms energy: -74.825899
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -12.042
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -154.042392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.042392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.042392 (E_RNA)
where:
Base-Base interactions energy: -86.411
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.032
local terms energy: -67.598695
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -153.982640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.982640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.982640 (E_RNA)
where:
Base-Base interactions energy: -82.592
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.139
local terms energy: -71.251602
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -143.314264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.314264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.314264 (E_RNA)
where:
Base-Base interactions energy: -85.770
where: short stacking energy: -42.981
Base-Backbone interact. energy: -0.020
local terms energy: -57.524225
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -74.832294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.832294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.832294 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.317
local terms energy: -45.015832
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 1.204
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -75.516880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.516880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.516880 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.264
local terms energy: -48.072826
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -4.589
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -71.398529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.398529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.398529 (E_RNA)
where:
Base-Base interactions energy: -31.711
where: short stacking energy: -22.483
Base-Backbone interact. energy: 1.880
local terms energy: -41.567038
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -2.924
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: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -226.383952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.383952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.383952 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -62.519
Base-Backbone interact. energy: 0.934
local terms energy: -62.072586
where:
bonds (distance) C4'-P energy: -6.597
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -219.602216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.602216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.602216 (E_RNA)
where:
Base-Base interactions energy: -153.605
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.136
local terms energy: -65.861018
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.410
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -198.724975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724975 (E_RNA)
where:
Base-Base interactions energy: -122.273
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.007
local terms energy: -76.445750
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -204.904718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.904718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.904718 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.006
local terms energy: -66.242452
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -174.186612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.186612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.186612 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.434
local terms energy: -68.863767
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -145.542584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.542584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.542584 (E_RNA)
where:
Base-Base interactions energy: -87.693
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.574
local terms energy: -57.275182
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -143.392409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.392409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.392409 (E_RNA)
where:
Base-Base interactions energy: -82.130
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.348
local terms energy: -60.914176
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -88.374756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374756 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -25.149
Base-Backbone interact. energy: -0.386
local terms energy: -53.185781
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -71.938003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.938003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.938003 (E_RNA)
where:
Base-Base interactions energy: -20.166
where: short stacking energy: -18.610
Base-Backbone interact. energy: 2.627
local terms energy: -54.399225
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -74.180651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.180651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.180651 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.113
local terms energy: -42.416505
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: 3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -233.936687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.936687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.936687 (E_RNA)
where:
Base-Base interactions energy: -164.649
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.350
local terms energy: -68.936893
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.487
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: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -206.293262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.293262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.293262 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.000
local terms energy: -73.557186
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -214.001383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001383 (E_RNA)
where:
Base-Base interactions energy: -149.261
where: short stacking energy: -62.402
Base-Backbone interact. energy: 1.553
local terms energy: -66.293409
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -15.400
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: 349
Temperature: 1.050000
Total energy: -195.079679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.079679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.079679 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -60.096
Base-Backbone interact. energy: -0.003
local terms energy: -63.759484
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -16.806
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: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -171.137671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.137671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137671 (E_RNA)
where:
Base-Base interactions energy: -96.430
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.076
local terms energy: -74.631377
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -166.511101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.511101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.511101 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -59.313
Base-Backbone interact. energy: -0.009
local terms energy: -65.818386
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -7.967
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -164.087844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.087844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.087844 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -45.661
Base-Backbone interact. energy: -0.327
local terms energy: -62.887577
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.251707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.251707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.251707 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.067
local terms energy: -58.490759
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -79.655542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.655542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.655542 (E_RNA)
where:
Base-Base interactions energy: -28.262
where: short stacking energy: -20.034
Base-Backbone interact. energy: -0.328
local terms energy: -51.064756
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -6.871
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: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -93.139891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139891 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.094
local terms energy: -56.528732
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -220.086006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.086006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.086006 (E_RNA)
where:
Base-Base interactions energy: -155.902
where: short stacking energy: -54.816
Base-Backbone interact. energy: -0.125
local terms energy: -64.058808
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -12.634
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: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -215.536648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.536648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.536648 (E_RNA)
where:
Base-Base interactions energy: -133.772
where: short stacking energy: -75.005
Base-Backbone interact. energy: -0.000
local terms energy: -81.764499
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -21.867
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -220.162845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.162845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.162845 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -74.490
Base-Backbone interact. energy: -0.314
local terms energy: -73.670024
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -208.277245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277245 (E_RNA)
where:
Base-Base interactions energy: -133.517
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.006
local terms energy: -74.754093
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -177.818019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.818019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.818019 (E_RNA)
where:
Base-Base interactions energy: -109.313
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.000
local terms energy: -68.504870
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -170.415861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.415861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.415861 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -50.051
Base-Backbone interact. energy: 0.258
local terms energy: -65.296565
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -86.218454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218454 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -30.401
Base-Backbone interact. energy: 0.075
local terms energy: -45.859797
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -173.633651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.633651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.633651 (E_RNA)
where:
Base-Base interactions energy: -118.597
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.285
local terms energy: -54.750973
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -14.011
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: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -77.426427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.426427 (E_RNA)
where:
Base-Base interactions energy: -27.345
where: short stacking energy: -23.637
Base-Backbone interact. energy: -0.364
local terms energy: -49.717671
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.389173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389173 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -28.269
Base-Backbone interact. energy: 0.632
local terms energy: -52.120718
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -220.498879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.498879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.498879 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -60.269
Base-Backbone interact. energy: -0.449
local terms energy: -69.694090
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -218.061247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.061247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.061247 (E_RNA)
where:
Base-Base interactions energy: -139.599
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.224
local terms energy: -78.238174
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -16.216
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -205.125884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.125884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.125884 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.643
local terms energy: -68.705182
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -183.969396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.969396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.969396 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -66.743
Base-Backbone interact. energy: 1.163
local terms energy: -69.737536
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -21.371
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: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -157.898093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.898093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.898093 (E_RNA)
where:
Base-Base interactions energy: -95.514
where: short stacking energy: -52.523
Base-Backbone interact. energy: 0.441
local terms energy: -62.825586
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.851
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: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -176.020418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.020418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.020418 (E_RNA)
where:
Base-Base interactions energy: -113.265
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.027
local terms energy: -62.728119
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -92.206098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.206098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.206098 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -34.803
Base-Backbone interact. energy: -0.460
local terms energy: -55.335286
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -170.556182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.556182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.556182 (E_RNA)
where:
Base-Base interactions energy: -107.057
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.818
local terms energy: -62.681616
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.613
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: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.561281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561281 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.018
local terms energy: -48.526785
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -82.521856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521856 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -28.730
Base-Backbone interact. energy: -1.381
local terms energy: -43.369948
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -5.345
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: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -222.267743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.267743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.267743 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -72.094
Base-Backbone interact. energy: 0.847
local terms energy: -78.644292
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -231.514607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514607 (E_RNA)
where:
Base-Base interactions energy: -163.980
where: short stacking energy: -63.177
Base-Backbone interact. energy: -0.592
local terms energy: -66.942419
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -209.214737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.214737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.214737 (E_RNA)
where:
Base-Base interactions energy: -137.629
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.271
local terms energy: -71.314228
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -191.297132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.297132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.297132 (E_RNA)
where:
Base-Base interactions energy: -119.302
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.189
local terms energy: -71.806325
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -191.136878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.136878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.136878 (E_RNA)
where:
Base-Base interactions energy: -126.039
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.111
local terms energy: -64.987535
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -160.523488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.523488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.523488 (E_RNA)
where:
Base-Base interactions energy: -96.544
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.013
local terms energy: -63.966206
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.146
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: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -172.855843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.855843 (E_RNA)
where:
Base-Base interactions energy: -115.511
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.188
local terms energy: -57.156465
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -7.524
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: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -83.708343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.708343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.708343 (E_RNA)
where:
Base-Base interactions energy: -29.413
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.771
local terms energy: -53.524439
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -81.494640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.494640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.494640 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.149
local terms energy: -41.689477
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -74.201081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201081 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -22.323
Base-Backbone interact. energy: 0.286
local terms energy: -52.164399
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: 2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -225.665433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.665433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.665433 (E_RNA)
where:
Base-Base interactions energy: -150.610
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.383
local terms energy: -74.671960
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -201.241924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.241924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.241924 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.020
local terms energy: -73.246960
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -227.353007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.353007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.353007 (E_RNA)
where:
Base-Base interactions energy: -157.305
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.586
local terms energy: -69.461165
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -193.269725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269725 (E_RNA)
where:
Base-Base interactions energy: -128.578
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.299
local terms energy: -64.392845
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -182.660239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660239 (E_RNA)
where:
Base-Base interactions energy: -113.094
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.904
local terms energy: -68.662063
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -178.188563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.188563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.188563 (E_RNA)
where:
Base-Base interactions energy: -115.558
where: short stacking energy: -43.721
Base-Backbone interact. energy: -0.814
local terms energy: -61.817299
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -96.675151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675151 (E_RNA)
where:
Base-Base interactions energy: -43.763
where: short stacking energy: -38.354
Base-Backbone interact. energy: 0.351
local terms energy: -53.262764
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.828896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.828896 (E_RNA)
where:
Base-Base interactions energy: -48.407
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.115
local terms energy: -44.306208
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -8.265
flat angles C4'-P-C4' energy: -6.877
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -79.805739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.805739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.805739 (E_RNA)
where:
Base-Base interactions energy: -26.350
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.483
local terms energy: -52.973123
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.577237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577237 (E_RNA)
where:
Base-Base interactions energy: -36.490
where: short stacking energy: -23.988
Base-Backbone interact. energy: -0.189
local terms energy: -41.898631
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -221.419901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.419901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.419901 (E_RNA)
where:
Base-Base interactions energy: -149.908
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.539
local terms energy: -70.973528
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -202.860896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.860896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.860896 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -59.477
Base-Backbone interact. energy: -1.483
local terms energy: -75.964336
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -212.827083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.827083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.827083 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.324
local terms energy: -61.898819
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -205.005387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.005387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.005387 (E_RNA)
where:
Base-Base interactions energy: -137.572
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.375
local terms energy: -67.058420
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -182.070599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.070599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.070599 (E_RNA)
where:
Base-Base interactions energy: -111.923
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.328
local terms energy: -69.819430
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -183.006190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.006190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.006190 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.352
local terms energy: -67.387290
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -91.742898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.742898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.742898 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.191
local terms energy: -59.042162
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -106.747144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.747144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.747144 (E_RNA)
where:
Base-Base interactions energy: -43.182
where: short stacking energy: -42.194
Base-Backbone interact. energy: -0.095
local terms energy: -63.470043
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -75.864906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.864906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.864906 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.015
local terms energy: -45.866661
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -7.306
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -77.740111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.740111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.740111 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.116
local terms energy: -43.953869
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -8.326
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -222.021028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.021028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.021028 (E_RNA)
where:
Base-Base interactions energy: -147.130
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.436
local terms energy: -74.455249
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -229.079637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.079637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.079637 (E_RNA)
where:
Base-Base interactions energy: -162.400
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.440
local terms energy: -66.239986
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -201.164442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.164442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.164442 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.596
local terms energy: -73.808868
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -190.866063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.866063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.866063 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -52.983
Base-Backbone interact. energy: -0.372
local terms energy: -57.205105
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -7.150
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: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -197.293281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.293281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.293281 (E_RNA)
where:
Base-Base interactions energy: -128.980
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.064
local terms energy: -68.249673
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -169.981245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.981245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.981245 (E_RNA)
where:
Base-Base interactions energy: -118.605
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.128
local terms energy: -51.248978
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -8.935
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: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -96.257221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.257221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.257221 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -39.029
Base-Backbone interact. energy: 0.669
local terms energy: -51.385703
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -7.404
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: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -86.038528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038528 (E_RNA)
where:
Base-Base interactions energy: -33.906
where: short stacking energy: -23.586
Base-Backbone interact. energy: -0.398
local terms energy: -51.734322
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -89.941808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.941808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.941808 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.015
local terms energy: -53.840419
where:
bonds (distance) C4'-P energy: -5.026
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -8.567
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: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -98.393607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.393607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.393607 (E_RNA)
where:
Base-Base interactions energy: -60.275
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.229
local terms energy: -37.889010
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -6.107
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: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -239.485825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.485825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.485825 (E_RNA)
where:
Base-Base interactions energy: -167.617
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.385
local terms energy: -71.483758
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -218.752368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.752368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.752368 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -68.821
Base-Backbone interact. energy: -0.128
local terms energy: -66.725450
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -214.104660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.104660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.104660 (E_RNA)
where:
Base-Base interactions energy: -141.257
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.723
local terms energy: -72.124444
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -202.752030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.752030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.752030 (E_RNA)
where:
Base-Base interactions energy: -129.563
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.749
local terms energy: -72.440049
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -194.440815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.440815 (E_RNA)
where:
Base-Base interactions energy: -123.788
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.252
local terms energy: -70.400490
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -16.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -173.557747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.557747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.557747 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -49.412
Base-Backbone interact. energy: -0.644
local terms energy: -61.253378
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -90.101500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101500 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.167
local terms energy: -60.860691
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -83.162216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.162216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.162216 (E_RNA)
where:
Base-Base interactions energy: -29.991
where: short stacking energy: -20.965
Base-Backbone interact. energy: -0.412
local terms energy: -52.758846
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -81.427831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427831 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.504
local terms energy: -48.441889
where:
bonds (distance) C4'-P energy: -5.249
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -73.948682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948682 (E_RNA)
where:
Base-Base interactions energy: -31.799
where: short stacking energy: -31.799
Base-Backbone interact. energy: 0.724
local terms energy: -42.873676
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -231.768659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.768659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.768659 (E_RNA)
where:
Base-Base interactions energy: -159.052
where: short stacking energy: -65.621
Base-Backbone interact. energy: 0.140
local terms energy: -72.856867
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -13.202
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -214.730562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.730562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.730562 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.144
local terms energy: -68.867631
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -18.225
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -204.492596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.492596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.492596 (E_RNA)
where:
Base-Base interactions energy: -133.560
where: short stacking energy: -59.532
Base-Backbone interact. energy: 0.630
local terms energy: -71.562276
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -206.662339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.662339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.662339 (E_RNA)
where:
Base-Base interactions energy: -123.452
where: short stacking energy: -66.560
Base-Backbone interact. energy: -1.457
local terms energy: -81.753179
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -189.720888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.720888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.720888 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -58.606
Base-Backbone interact. energy: -0.097
local terms energy: -62.954630
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -158.981413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.981413 (E_RNA)
where:
Base-Base interactions energy: -93.061
where: short stacking energy: -49.024
Base-Backbone interact. energy: 0.080
local terms energy: -66.000329
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -12.522
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: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -107.707159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.707159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.707159 (E_RNA)
where:
Base-Base interactions energy: -47.490
where: short stacking energy: -30.462
Base-Backbone interact. energy: -0.237
local terms energy: -59.980502
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -85.532455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.532455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.532455 (E_RNA)
where:
Base-Base interactions energy: -30.577
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.269
local terms energy: -54.685797
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -102.049018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.049018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.049018 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.554
local terms energy: -55.683166
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -77.735913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735913 (E_RNA)
where:
Base-Base interactions energy: -28.073
where: short stacking energy: -19.111
Base-Backbone interact. energy: -0.094
local terms energy: -49.569453
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -5.307
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: 2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -221.716867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.716867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.716867 (E_RNA)
where:
Base-Base interactions energy: -152.273
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.407
local terms energy: -69.036697
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -16.560
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: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -238.713646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.713646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.713646 (E_RNA)
where:
Base-Base interactions energy: -173.609
where: short stacking energy: -67.695
Base-Backbone interact. energy: -0.350
local terms energy: -64.754249
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -19.481
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: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -208.393905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.393905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393905 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.170
local terms energy: -72.084184
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -178.387135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.387135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387135 (E_RNA)
where:
Base-Base interactions energy: -108.035
where: short stacking energy: -50.583
Base-Backbone interact. energy: -1.425
local terms energy: -68.926770
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -201.840286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.840286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.840286 (E_RNA)
where:
Base-Base interactions energy: -133.913
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.563
local terms energy: -67.363628
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -156.048446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.048446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.048446 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -50.446
Base-Backbone interact. energy: -0.593
local terms energy: -61.842341
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -102.966070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.966070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.966070 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.102
local terms energy: -60.955928
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -8.728
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: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -95.403753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.403753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.403753 (E_RNA)
where:
Base-Base interactions energy: -36.830
where: short stacking energy: -36.830
Base-Backbone interact. energy: -0.352
local terms energy: -58.221423
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -84.083641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.083641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.083641 (E_RNA)
where:
Base-Base interactions energy: -28.268
where: short stacking energy: -26.726
Base-Backbone interact. energy: 0.073
local terms energy: -55.889222
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -10.980
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: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -93.004477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.004477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.004477 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -28.486
Base-Backbone interact. energy: 0.144
local terms energy: -45.067194
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -222.309260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.309260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.309260 (E_RNA)
where:
Base-Base interactions energy: -150.619
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.167
local terms energy: -71.523574
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -228.603959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.603959 (E_RNA)
where:
Base-Base interactions energy: -160.147
where: short stacking energy: -66.018
Base-Backbone interact. energy: 0.113
local terms energy: -68.569307
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -213.258448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258448 (E_RNA)
where:
Base-Base interactions energy: -135.802
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.759
local terms energy: -76.698028
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -209.118662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118662 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.613
local terms energy: -66.555967
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -183.722575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.722575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.722575 (E_RNA)
where:
Base-Base interactions energy: -114.118
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.154
local terms energy: -69.450981
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -99.243733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243733 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -18.810
Base-Backbone interact. energy: -0.068
local terms energy: -57.213699
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -153.967197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.967197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.967197 (E_RNA)
where:
Base-Base interactions energy: -107.452
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.355
local terms energy: -46.159976
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -8.012
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -91.753259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.753259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.753259 (E_RNA)
where:
Base-Base interactions energy: -38.831
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.143
local terms energy: -52.780041
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.487880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487880 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -36.486
Base-Backbone interact. energy: -0.062
local terms energy: -47.940128
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -76.839143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.839143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.839143 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -17.912
Base-Backbone interact. energy: -0.925
local terms energy: -43.120127
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -8.493
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -228.226165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.226165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.226165 (E_RNA)
where:
Base-Base interactions energy: -154.933
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.858
local terms energy: -72.435252
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -217.622750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.622750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.622750 (E_RNA)
where:
Base-Base interactions energy: -144.492
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.302
local terms energy: -72.828939
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.562
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: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -210.669065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669065 (E_RNA)
where:
Base-Base interactions energy: -145.201
where: short stacking energy: -65.508
Base-Backbone interact. energy: 0.081
local terms energy: -65.549363
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -195.311549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.311549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.311549 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.748
local terms energy: -70.017498
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -193.982422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.982422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.982422 (E_RNA)
where:
Base-Base interactions energy: -122.401
where: short stacking energy: -63.424
Base-Backbone interact. energy: -1.437
local terms energy: -70.144826
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -90.391043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391043 (E_RNA)
where:
Base-Base interactions energy: -40.295
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.065
local terms energy: -50.030265
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -161.869438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.869438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.869438 (E_RNA)
where:
Base-Base interactions energy: -93.664
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.503
local terms energy: -67.702110
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -74.065280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.065280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.065280 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -29.892
Base-Backbone interact. energy: -0.394
local terms energy: -39.893493
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -84.033907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.033907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.033907 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.200
local terms energy: -51.842495
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -71.453322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.453322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.453322 (E_RNA)
where:
Base-Base interactions energy: -23.632
where: short stacking energy: -21.156
Base-Backbone interact. energy: -0.119
local terms energy: -47.702566
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -231.611859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.611859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611859 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -69.003
Base-Backbone interact. energy: 1.323
local terms energy: -78.886475
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -225.002211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002211 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -73.563
Base-Backbone interact. energy: -0.123
local terms energy: -72.958460
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -205.178390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.178390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.178390 (E_RNA)
where:
Base-Base interactions energy: -131.863
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.105
local terms energy: -73.210965
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -204.552900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552900 (E_RNA)
where:
Base-Base interactions energy: -134.644
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.447
local terms energy: -69.462027
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -180.795963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.795963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.795963 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.044
local terms energy: -65.260113
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -156.525058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.525058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.525058 (E_RNA)
where:
Base-Base interactions energy: -93.346
where: short stacking energy: -53.670
Base-Backbone interact. energy: 0.966
local terms energy: -64.145587
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -92.263197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.263197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.263197 (E_RNA)
where:
Base-Base interactions energy: -36.909
where: short stacking energy: -36.909
Base-Backbone interact. energy: -0.272
local terms energy: -55.082238
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -86.544927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.544927 (E_RNA)
where:
Base-Base interactions energy: -37.137
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.215
local terms energy: -49.193595
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -90.309559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309559 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -19.016
Base-Backbone interact. energy: -1.204
local terms energy: -46.992769
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -8.538
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: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -79.822298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822298 (E_RNA)
where:
Base-Base interactions energy: -32.396
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.423
local terms energy: -47.004059
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -226.328222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.328222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.328222 (E_RNA)
where:
Base-Base interactions energy: -153.224
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.533
local terms energy: -72.571236
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -232.938482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.938482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938482 (E_RNA)
where:
Base-Base interactions energy: -155.744
where: short stacking energy: -66.596
Base-Backbone interact. energy: -0.665
local terms energy: -76.529952
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -206.614650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.614650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.614650 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.398
local terms energy: -73.019828
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -180.094649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.094649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.094649 (E_RNA)
where:
Base-Base interactions energy: -112.524
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.131
local terms energy: -67.438830
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -187.925737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.925737 (E_RNA)
where:
Base-Base interactions energy: -118.024
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.279
local terms energy: -69.623126
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -168.254079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.254079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.254079 (E_RNA)
where:
Base-Base interactions energy: -105.939
where: short stacking energy: -47.885
Base-Backbone interact. energy: -0.291
local terms energy: -62.024565
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -3.744
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: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -93.555188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.555188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.555188 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -29.878
Base-Backbone interact. energy: -0.051
local terms energy: -57.845552
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.661
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: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -99.594814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.594814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.594814 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -30.352
Base-Backbone interact. energy: -0.058
local terms energy: -56.679777
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -82.448481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448481 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.086
local terms energy: -47.810730
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.106151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.106151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.106151 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.428
local terms energy: -45.507085
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -5.444
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -225.217811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.217811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.217811 (E_RNA)
where:
Base-Base interactions energy: -149.905
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.891
local terms energy: -74.421930
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -222.820531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.820531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820531 (E_RNA)
where:
Base-Base interactions energy: -145.753
where: short stacking energy: -79.304
Base-Backbone interact. energy: 0.040
local terms energy: -77.107808
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -222.741723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.741723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.741723 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.595
local terms energy: -79.148119
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -192.068383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.068383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.068383 (E_RNA)
where:
Base-Base interactions energy: -119.929
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.096
local terms energy: -72.043118
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -156.126711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.126711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.126711 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.538
local terms energy: -61.343138
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -161.059119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.059119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.059119 (E_RNA)
where:
Base-Base interactions energy: -104.349
where: short stacking energy: -44.839
Base-Backbone interact. energy: -0.472
local terms energy: -56.238625
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -86.681082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.681082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.681082 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -32.325
Base-Backbone interact. energy: -0.016
local terms energy: -47.239577
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -88.320015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320015 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.851
local terms energy: -49.355096
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -73.645702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.645702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.645702 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.009
local terms energy: -37.791131
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -79.313238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.313238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.313238 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -17.481
Base-Backbone interact. energy: 2.178
local terms energy: -42.843743
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -6.094
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: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -229.314666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.314666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.314666 (E_RNA)
where:
Base-Base interactions energy: -152.815
where: short stacking energy: -68.957
Base-Backbone interact. energy: 0.303
local terms energy: -76.802507
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -207.539650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539650 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -58.873
Base-Backbone interact. energy: -0.238
local terms energy: -70.536528
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -17.653
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: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -192.617919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.617919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.617919 (E_RNA)
where:
Base-Base interactions energy: -125.276
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.046
local terms energy: -67.295630
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -15.745
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: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -225.345816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.345816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.345816 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.420
local terms energy: -70.231497
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -161.922460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.922460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.922460 (E_RNA)
where:
Base-Base interactions energy: -99.615
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.024
local terms energy: -62.283195
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -156.222057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.222057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.222057 (E_RNA)
where:
Base-Base interactions energy: -90.487
where: short stacking energy: -41.190
Base-Backbone interact. energy: -0.193
local terms energy: -65.541792
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -110.556167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.556167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.556167 (E_RNA)
where:
Base-Base interactions energy: -41.955
where: short stacking energy: -43.067
Base-Backbone interact. energy: 0.428
local terms energy: -69.028895
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.957654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957654 (E_RNA)
where:
Base-Base interactions energy: -31.621
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.790
local terms energy: -56.547404
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.211
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: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -79.245766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.245766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.245766 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.105
local terms energy: -46.474558
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.601543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601543 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -31.229
Base-Backbone interact. energy: -0.474
local terms energy: -50.292681
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -223.616493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.616493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.616493 (E_RNA)
where:
Base-Base interactions energy: -147.764
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.365
local terms energy: -75.487846
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -210.297885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.297885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.297885 (E_RNA)
where:
Base-Base interactions energy: -141.077
where: short stacking energy: -67.847
Base-Backbone interact. energy: -0.286
local terms energy: -68.935203
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -2.874
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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -190.647763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.647763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.647763 (E_RNA)
where:
Base-Base interactions energy: -123.132
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.022
local terms energy: -67.494031
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -218.730491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730491 (E_RNA)
where:
Base-Base interactions energy: -149.858
where: short stacking energy: -59.200
Base-Backbone interact. energy: -0.157
local terms energy: -68.715532
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -188.190246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.190246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.190246 (E_RNA)
where:
Base-Base interactions energy: -120.428
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.897
local terms energy: -66.865831
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -12.970
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -89.302116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302116 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -21.978
Base-Backbone interact. energy: -1.314
local terms energy: -52.221669
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -144.927557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.927557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.927557 (E_RNA)
where:
Base-Base interactions energy: -87.440
where: short stacking energy: -43.051
Base-Backbone interact. energy: 0.771
local terms energy: -58.258528
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -79.749201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.749201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.749201 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.332
local terms energy: -44.748919
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -85.654092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654092 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -24.627
Base-Backbone interact. energy: 0.127
local terms energy: -43.453803
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -69.587047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.587047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.587047 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.768
local terms energy: -44.299992
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -211.427529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.427529 (E_RNA)
where:
Base-Base interactions energy: -138.573
where: short stacking energy: -60.010
Base-Backbone interact. energy: -1.190
local terms energy: -71.663988
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -224.206150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.206150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.206150 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.742
local terms energy: -76.139533
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -18.459
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -212.951497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.951497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.951497 (E_RNA)
where:
Base-Base interactions energy: -142.018
where: short stacking energy: -57.463
Base-Backbone interact. energy: 1.365
local terms energy: -72.298772
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.106
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -181.666628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.666628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.666628 (E_RNA)
where:
Base-Base interactions energy: -113.260
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.004
local terms energy: -68.403433
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.240
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -191.324426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.324426 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.240
local terms energy: -68.405118
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -13.142
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: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -98.379737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.379737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.379737 (E_RNA)
where:
Base-Base interactions energy: -53.528
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.128
local terms energy: -44.724584
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: 1.709
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: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -143.458796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.458796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.458796 (E_RNA)
where:
Base-Base interactions energy: -91.097
where: short stacking energy: -44.743
Base-Backbone interact. energy: 2.222
local terms energy: -54.583824
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -99.937708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.937708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.937708 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -36.289
Base-Backbone interact. energy: -0.019
local terms energy: -60.283215
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.681508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.681508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.681508 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.026
local terms energy: -39.722342
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -3.846
flat angles P-C4'-P energy: -8.714
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -81.817753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.817753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.817753 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -14.089
Base-Backbone interact. energy: 2.524
local terms energy: -38.335448
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -7.012
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -208.167384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.167384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.167384 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.582
local terms energy: -79.986405
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -210.256977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.256977 (E_RNA)
where:
Base-Base interactions energy: -135.372
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.544
local terms energy: -74.341042
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -13.458
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: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -216.574047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.574047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.574047 (E_RNA)
where:
Base-Base interactions energy: -150.790
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.069
local terms energy: -65.715502
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -13.115
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: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -178.513208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.513208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.513208 (E_RNA)
where:
Base-Base interactions energy: -111.427
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.337
local terms energy: -66.749319
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -162.486383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.486383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.486383 (E_RNA)
where:
Base-Base interactions energy: -94.217
where: short stacking energy: -40.249
Base-Backbone interact. energy: -0.551
local terms energy: -67.718627
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -152.239516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.239516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.239516 (E_RNA)
where:
Base-Base interactions energy: -90.452
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.049
local terms energy: -61.738996
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -93.873131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.873131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.873131 (E_RNA)
where:
Base-Base interactions energy: -51.566
where: short stacking energy: -27.410
Base-Backbone interact. energy: -0.226
local terms energy: -42.080326
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: 0.685
tors. eta vs tors. theta energy: -6.851
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -80.406154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.406154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.406154 (E_RNA)
where:
Base-Base interactions energy: -37.038
where: short stacking energy: -29.547
Base-Backbone interact. energy: 1.932
local terms energy: -45.300600
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -83.914043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914043 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -29.172
Base-Backbone interact. energy: 0.643
local terms energy: -47.710493
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: 0.756
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: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -87.819884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819884 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.388
local terms energy: -48.347445
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -221.331360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.331360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331360 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.491
local terms energy: -72.385409
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -200.260818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.260818 (E_RNA)
where:
Base-Base interactions energy: -122.022
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.034
local terms energy: -78.205173
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -217.731069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.731069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.731069 (E_RNA)
where:
Base-Base interactions energy: -144.365
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.197
local terms energy: -73.168872
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -182.235167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.235167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.235167 (E_RNA)
where:
Base-Base interactions energy: -114.982
where: short stacking energy: -66.781
Base-Backbone interact. energy: -0.040
local terms energy: -67.213133
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -18.970
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: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -159.984875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.984875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.984875 (E_RNA)
where:
Base-Base interactions energy: -97.338
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.076
local terms energy: -62.570941
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -151.487440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.487440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.487440 (E_RNA)
where:
Base-Base interactions energy: -95.817
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.117
local terms energy: -55.553204
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -99.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.822345 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -31.131
Base-Backbone interact. energy: -0.316
local terms energy: -54.123759
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -7.543
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: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -80.406531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.406531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.406531 (E_RNA)
where:
Base-Base interactions energy: -26.297
where: short stacking energy: -25.897
Base-Backbone interact. energy: 0.920
local terms energy: -55.029525
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -83.566904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.566904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.566904 (E_RNA)
where:
Base-Base interactions energy: -29.001
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.516
local terms energy: -54.049708
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -73.991581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.991581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.991581 (E_RNA)
where:
Base-Base interactions energy: -24.123
where: short stacking energy: -20.975
Base-Backbone interact. energy: -0.537
local terms energy: -49.332377
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.133
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: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -222.794340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.794340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794340 (E_RNA)
where:
Base-Base interactions energy: -149.716
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.538
local terms energy: -72.540767
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -224.366147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.366147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.366147 (E_RNA)
where:
Base-Base interactions energy: -152.945
where: short stacking energy: -59.573
Base-Backbone interact. energy: 0.298
local terms energy: -71.718783
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -191.091796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.091796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.091796 (E_RNA)
where:
Base-Base interactions energy: -120.854
where: short stacking energy: -62.055
Base-Backbone interact. energy: -0.995
local terms energy: -69.242487
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -164.457694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.457694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.457694 (E_RNA)
where:
Base-Base interactions energy: -100.552
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.378
local terms energy: -63.527841
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -188.386228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.386228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.386228 (E_RNA)
where:
Base-Base interactions energy: -120.437
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.088
local terms energy: -67.860672
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.053
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -160.835297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.835297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.835297 (E_RNA)
where:
Base-Base interactions energy: -97.353
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.009
local terms energy: -63.473196
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -111.338590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.338590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.338590 (E_RNA)
where:
Base-Base interactions energy: -52.899
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.251
local terms energy: -58.188857
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -81.674902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.674902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.674902 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.435
local terms energy: -48.903135
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -78.235455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.235455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.235455 (E_RNA)
where:
Base-Base interactions energy: -29.098
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.639
local terms energy: -48.498450
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -76.629278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.629278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.629278 (E_RNA)
where:
Base-Base interactions energy: -30.580
where: short stacking energy: -30.580
Base-Backbone interact. energy: -0.123
local terms energy: -45.925866
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -224.624810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.624810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624810 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -65.015
Base-Backbone interact. energy: -0.155
local terms energy: -72.872543
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -220.824705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.824705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.824705 (E_RNA)
where:
Base-Base interactions energy: -151.861
where: short stacking energy: -63.651
Base-Backbone interact. energy: 0.117
local terms energy: -69.081506
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -16.287
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: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -212.932214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.932214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.932214 (E_RNA)
where:
Base-Base interactions energy: -139.000
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.786
local terms energy: -73.145941
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -172.865566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.865566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.865566 (E_RNA)
where:
Base-Base interactions energy: -103.262
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.404
local terms energy: -69.199798
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -164.546980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.546980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.546980 (E_RNA)
where:
Base-Base interactions energy: -95.175
where: short stacking energy: -46.720
Base-Backbone interact. energy: -0.355
local terms energy: -69.017347
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -12.202
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -155.431554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.431554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.431554 (E_RNA)
where:
Base-Base interactions energy: -92.719
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.007
local terms energy: -62.705949
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -11.235
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -108.260321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.260321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.260321 (E_RNA)
where:
Base-Base interactions energy: -48.747
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.036
local terms energy: -59.477900
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -89.325900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.325900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.325900 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -33.453
Base-Backbone interact. energy: -0.461
local terms energy: -55.411257
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -4.668
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -85.768597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.768597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.768597 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -31.224
Base-Backbone interact. energy: 0.029
local terms energy: -49.690270
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -77.530979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.530979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.530979 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.548
local terms energy: -43.467761
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -225.377389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.377389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.377389 (E_RNA)
where:
Base-Base interactions energy: -148.740
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.249
local terms energy: -76.388563
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -17.566
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: 371
Temperature: 0.950000
Total energy: -225.345982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.345982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.345982 (E_RNA)
where:
Base-Base interactions energy: -146.288
where: short stacking energy: -75.356
Base-Backbone interact. energy: -0.479
local terms energy: -78.579144
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -218.798477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.798477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.798477 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -72.889
Base-Backbone interact. energy: -0.110
local terms energy: -61.248821
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -182.330636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.330636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.330636 (E_RNA)
where:
Base-Base interactions energy: -119.634
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.184
local terms energy: -62.512663
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -189.033979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.033979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.033979 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.721
local terms energy: -72.239624
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -165.266565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.266565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.266565 (E_RNA)
where:
Base-Base interactions energy: -101.495
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.537
local terms energy: -63.234880
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -90.573547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.573547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.573547 (E_RNA)
where:
Base-Base interactions energy: -27.090
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.331
local terms energy: -63.153021
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -94.655750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655750 (E_RNA)
where:
Base-Base interactions energy: -39.226
where: short stacking energy: -34.892
Base-Backbone interact. energy: -0.893
local terms energy: -54.536551
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -78.634782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.634782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.634782 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.289
local terms energy: -46.304038
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -87.244828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.244828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.244828 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.356
local terms energy: -47.640860
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -7.540
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -221.838652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.838652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.838652 (E_RNA)
where:
Base-Base interactions energy: -141.724
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.341
local terms energy: -79.773341
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -227.288004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.288004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.288004 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -72.101
Base-Backbone interact. energy: -0.130
local terms energy: -75.469056
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -223.540230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.540230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.540230 (E_RNA)
where:
Base-Base interactions energy: -144.332
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.482
local terms energy: -78.726528
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -196.063183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.063183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.063183 (E_RNA)
where:
Base-Base interactions energy: -124.491
where: short stacking energy: -65.213
Base-Backbone interact. energy: 0.184
local terms energy: -71.756013
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -18.175
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: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -180.660970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.660970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.660970 (E_RNA)
where:
Base-Base interactions energy: -108.299
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.004
local terms energy: -72.358022
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -174.185531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.185531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.185531 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -50.245
Base-Backbone interact. energy: -0.528
local terms energy: -63.407971
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -88.953035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.953035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.953035 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.941
local terms energy: -50.526928
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -87.651952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651952 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -29.277
Base-Backbone interact. energy: 0.604
local terms energy: -53.250498
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -80.031722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.031722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.031722 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.385
local terms energy: -47.428545
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -7.693
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -75.193670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.193670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.193670 (E_RNA)
where:
Base-Base interactions energy: -28.337
where: short stacking energy: -21.644
Base-Backbone interact. energy: 0.151
local terms energy: -47.007866
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -214.183681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183681 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -77.032
Base-Backbone interact. energy: -0.020
local terms energy: -75.888565
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -220.784430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.784430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.784430 (E_RNA)
where:
Base-Base interactions energy: -144.945
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.240
local terms energy: -75.599582
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -226.294608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.294608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.294608 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.267
local terms energy: -70.680965
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -191.141738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.141738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.141738 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.082
local terms energy: -64.754841
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -188.747859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.747859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.747859 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.133
local terms energy: -67.574517
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -150.885785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.885785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.885785 (E_RNA)
where:
Base-Base interactions energy: -85.208
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.406
local terms energy: -65.271497
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -91.398403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.398403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.398403 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -27.629
Base-Backbone interact. energy: 0.133
local terms energy: -49.657327
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -90.185511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185511 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -19.709
Base-Backbone interact. energy: -0.364
local terms energy: -48.988421
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -80.604834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.604834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.604834 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -21.578
Base-Backbone interact. energy: -0.169
local terms energy: -46.003398
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.482
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: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -86.657447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.657447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.657447 (E_RNA)
where:
Base-Base interactions energy: -46.705
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.555
local terms energy: -39.397235
where:
bonds (distance) C4'-P energy: -6.536
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -223.854274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.854274 (E_RNA)
where:
Base-Base interactions energy: -156.017
where: short stacking energy: -67.868
Base-Backbone interact. energy: 0.033
local terms energy: -67.870353
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -16.833
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: 374
Temperature: 0.950000
Total energy: -221.385599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.385599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.385599 (E_RNA)
where:
Base-Base interactions energy: -147.541
where: short stacking energy: -70.934
Base-Backbone interact. energy: 0.959
local terms energy: -74.803131
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -20.073
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -219.188328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.188328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.188328 (E_RNA)
where:
Base-Base interactions energy: -149.180
where: short stacking energy: -66.780
Base-Backbone interact. energy: 0.249
local terms energy: -70.256707
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -192.820251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.820251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.820251 (E_RNA)
where:
Base-Base interactions energy: -128.863
where: short stacking energy: -71.647
Base-Backbone interact. energy: -0.154
local terms energy: -63.803982
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -174.355086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.355086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.355086 (E_RNA)
where:
Base-Base interactions energy: -110.943
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.048
local terms energy: -63.364289
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -172.989592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.989592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.989592 (E_RNA)
where:
Base-Base interactions energy: -108.906
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.300
local terms energy: -63.783761
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -90.623922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.623922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.623922 (E_RNA)
where:
Base-Base interactions energy: -41.432
where: short stacking energy: -41.374
Base-Backbone interact. energy: -0.062
local terms energy: -49.130265
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -92.236495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236495 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.056
local terms energy: -57.519874
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -75.699039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699039 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -29.389
Base-Backbone interact. energy: 0.640
local terms energy: -43.060596
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: 0.874
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: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.077935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.077935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.077935 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.127
local terms energy: -33.977654
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: 4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -224.209846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.209846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.209846 (E_RNA)
where:
Base-Base interactions energy: -156.980
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.397
local terms energy: -66.833246
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -207.816575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.816575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.816575 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.334
local terms energy: -63.009214
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -219.178018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.178018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.178018 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.273
local terms energy: -66.178888
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -200.408339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.408339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.408339 (E_RNA)
where:
Base-Base interactions energy: -124.843
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.291
local terms energy: -75.275118
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -159.700962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.700962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.700962 (E_RNA)
where:
Base-Base interactions energy: -93.317
where: short stacking energy: -51.261
Base-Backbone interact. energy: -0.383
local terms energy: -66.000539
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -175.080055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.080055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.080055 (E_RNA)
where:
Base-Base interactions energy: -105.813
where: short stacking energy: -46.476
Base-Backbone interact. energy: -0.019
local terms energy: -69.248049
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.006
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -96.701668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.701668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.701668 (E_RNA)
where:
Base-Base interactions energy: -46.621
where: short stacking energy: -39.772
Base-Backbone interact. energy: -0.373
local terms energy: -49.707137
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -81.694635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.694635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.694635 (E_RNA)
where:
Base-Base interactions energy: -32.820
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.475
local terms energy: -48.400216
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: 2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -76.189669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.189669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.189669 (E_RNA)
where:
Base-Base interactions energy: -30.897
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.212
local terms energy: -45.081400
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -78.541972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.541972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.541972 (E_RNA)
where:
Base-Base interactions energy: -30.851
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.434
local terms energy: -47.256779
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -3.152
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -228.296508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.296508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.296508 (E_RNA)
where:
Base-Base interactions energy: -150.108
where: short stacking energy: -72.231
Base-Backbone interact. energy: -1.049
local terms energy: -77.140360
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -219.799147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799147 (E_RNA)
where:
Base-Base interactions energy: -147.367
where: short stacking energy: -57.786
Base-Backbone interact. energy: -0.317
local terms energy: -72.115885
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -200.298708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.298708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.298708 (E_RNA)
where:
Base-Base interactions energy: -127.981
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.002
local terms energy: -72.315237
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -207.702979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.702979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.702979 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.084
local terms energy: -64.043931
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -169.030892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.030892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.030892 (E_RNA)
where:
Base-Base interactions energy: -110.164
where: short stacking energy: -49.764
Base-Backbone interact. energy: -0.047
local terms energy: -58.819748
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -165.912777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.912777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.912777 (E_RNA)
where:
Base-Base interactions energy: -104.487
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.186
local terms energy: -61.239518
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -14.137
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -84.522099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.522099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.522099 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -30.019
Base-Backbone interact. energy: -0.216
local terms energy: -54.287480
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -86.748805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748805 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.418
local terms energy: -45.943152
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -73.976309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.976309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.976309 (E_RNA)
where:
Base-Base interactions energy: -28.552
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.225
local terms energy: -45.199757
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -2.892
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -74.340326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.340326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.340326 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.161
local terms energy: -48.488496
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -223.222322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.222322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.222322 (E_RNA)
where:
Base-Base interactions energy: -146.364
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.304
local terms energy: -76.554134
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -223.304073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304073 (E_RNA)
where:
Base-Base interactions energy: -152.776
where: short stacking energy: -64.539
Base-Backbone interact. energy: 2.559
local terms energy: -73.086516
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -203.802864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.802864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.802864 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.077
local terms energy: -73.587092
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -19.168
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: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -220.717449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717449 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -67.088
Base-Backbone interact. energy: -0.642
local terms energy: -73.432831
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -161.501997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.501997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.501997 (E_RNA)
where:
Base-Base interactions energy: -105.340
where: short stacking energy: -48.154
Base-Backbone interact. energy: -0.362
local terms energy: -55.800276
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -163.405019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405019 (E_RNA)
where:
Base-Base interactions energy: -93.607
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.180
local terms energy: -69.618518
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -86.860522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860522 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -30.227
Base-Backbone interact. energy: 0.283
local terms energy: -56.917356
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -91.695376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.695376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.695376 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -35.727
Base-Backbone interact. energy: 0.565
local terms energy: -48.935818
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -90.568610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.568610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.568610 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -34.400
Base-Backbone interact. energy: -0.738
local terms energy: -51.236543
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -6.006
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: 377
Temperature: 1.350000
Total energy: -89.722746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722746 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -35.777
Base-Backbone interact. energy: -0.104
local terms energy: -53.841322
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -219.130070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.130070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.130070 (E_RNA)
where:
Base-Base interactions energy: -143.783
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.083
local terms energy: -75.263442
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -218.864890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.864890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.864890 (E_RNA)
where:
Base-Base interactions energy: -141.377
where: short stacking energy: -73.040
Base-Backbone interact. energy: -1.118
local terms energy: -76.369567
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -214.514538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.514538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.514538 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.472
local terms energy: -65.774716
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -202.741056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.741056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.741056 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.003
local terms energy: -71.153281
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -171.044068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.044068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.044068 (E_RNA)
where:
Base-Base interactions energy: -105.087
where: short stacking energy: -57.026
Base-Backbone interact. energy: 0.211
local terms energy: -66.168080
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -158.363166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.363166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.363166 (E_RNA)
where:
Base-Base interactions energy: -98.480
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.330
local terms energy: -59.552485
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -90.736412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736412 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.021
local terms energy: -49.935541
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -85.536666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.536666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.536666 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -12.571
Base-Backbone interact. energy: -0.116
local terms energy: -44.648320
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -83.785620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.785620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.785620 (E_RNA)
where:
Base-Base interactions energy: -30.147
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.301
local terms energy: -53.337125
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -7.212
flat angles P-C4'-P energy: -10.487
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: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -86.871356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.871356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.871356 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -26.650
Base-Backbone interact. energy: -1.002
local terms energy: -47.059632
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -216.906356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.906356 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -49.488
Base-Backbone interact. energy: -0.317
local terms energy: -75.420063
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.991
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -225.189746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.189746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.189746 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -56.960
Base-Backbone interact. energy: -0.248
local terms energy: -74.452733
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -210.225629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.225629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.225629 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.307
local terms energy: -75.949594
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -196.605450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.605450 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.616
local terms energy: -59.507191
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -129.893487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.893487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.893487 (E_RNA)
where:
Base-Base interactions energy: -66.702
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.006
local terms energy: -63.185979
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -161.747135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.747135 (E_RNA)
where:
Base-Base interactions energy: -95.972
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.150
local terms energy: -65.624778
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -13.775
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -84.393085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393085 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.012
local terms energy: -47.936753
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: 0.059
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -95.259142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.259142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.259142 (E_RNA)
where:
Base-Base interactions energy: -46.047
where: short stacking energy: -32.005
Base-Backbone interact. energy: -0.172
local terms energy: -49.040070
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -75.948202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948202 (E_RNA)
where:
Base-Base interactions energy: -30.168
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.129
local terms energy: -45.651279
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -74.163282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.163282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.163282 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -26.616
Base-Backbone interact. energy: 5.998
local terms energy: -45.824833
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -229.697598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.697598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.697598 (E_RNA)
where:
Base-Base interactions energy: -160.155
where: short stacking energy: -72.403
Base-Backbone interact. energy: 0.861
local terms energy: -70.403621
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -223.256538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256538 (E_RNA)
where:
Base-Base interactions energy: -150.591
where: short stacking energy: -62.838
Base-Backbone interact. energy: -0.978
local terms energy: -71.687897
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -198.275843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.275843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.275843 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -59.886
Base-Backbone interact. energy: -0.108
local terms energy: -71.517156
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -17.888
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -204.113127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.113127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.113127 (E_RNA)
where:
Base-Base interactions energy: -132.841
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.304
local terms energy: -70.968494
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -164.576318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.576318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.576318 (E_RNA)
where:
Base-Base interactions energy: -100.085
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.003
local terms energy: -64.488236
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -5.669
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -126.862099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.862099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.862099 (E_RNA)
where:
Base-Base interactions energy: -74.721
where: short stacking energy: -47.860
Base-Backbone interact. energy: -0.280
local terms energy: -51.861296
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -112.870946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.870946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.870946 (E_RNA)
where:
Base-Base interactions energy: -66.833
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.075
local terms energy: -45.962885
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -5.806
flat angles P-C4'-P energy: -8.330
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: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -89.648467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.648467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.648467 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.150
local terms energy: -54.014546
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -8.476
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: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -77.690577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.690577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.690577 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -31.161
Base-Backbone interact. energy: 1.275
local terms energy: -46.642277
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.131
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -82.866451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.866451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.866451 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -20.717
Base-Backbone interact. energy: -1.968
local terms energy: -44.547866
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -5.000
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: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -232.189259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.189259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.189259 (E_RNA)
where:
Base-Base interactions energy: -157.437
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.223
local terms energy: -74.529382
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -223.092671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.092671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.092671 (E_RNA)
where:
Base-Base interactions energy: -152.739
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.178
local terms energy: -70.175750
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -196.177292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.177292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.177292 (E_RNA)
where:
Base-Base interactions energy: -119.119
where: short stacking energy: -58.145
Base-Backbone interact. energy: 0.081
local terms energy: -77.138788
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -206.937192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.937192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.937192 (E_RNA)
where:
Base-Base interactions energy: -132.509
where: short stacking energy: -60.694
Base-Backbone interact. energy: 0.461
local terms energy: -74.889460
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -12.127
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: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -163.821133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.821133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.821133 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.990
local terms energy: -66.266913
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -147.836552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.836552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.836552 (E_RNA)
where:
Base-Base interactions energy: -95.187
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.042
local terms energy: -52.607008
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -116.428149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.428149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.428149 (E_RNA)
where:
Base-Base interactions energy: -64.604
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.039
local terms energy: -51.784781
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -85.003438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.003438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.003438 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -29.657
Base-Backbone interact. energy: -1.170
local terms energy: -51.260110
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.280688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280688 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.374
local terms energy: -48.425555
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.070828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.070828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.070828 (E_RNA)
where:
Base-Base interactions energy: -29.077
where: short stacking energy: -17.757
Base-Backbone interact. energy: 0.132
local terms energy: -47.126037
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: 2.916
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: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -227.256919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.256919 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.145
local terms energy: -65.693220
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -8.798
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: 382
Temperature: 0.950000
Total energy: -220.067339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.067339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.067339 (E_RNA)
where:
Base-Base interactions energy: -151.671
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.104
local terms energy: -68.292778
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.012
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: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -212.902707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.902707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.902707 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.661
local terms energy: -77.061536
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -205.999657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.999657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.999657 (E_RNA)
where:
Base-Base interactions energy: -129.528
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.208
local terms energy: -76.264211
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -181.742684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.742684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.742684 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.207
local terms energy: -65.875898
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -181.860776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.860776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.860776 (E_RNA)
where:
Base-Base interactions energy: -112.033
where: short stacking energy: -53.499
Base-Backbone interact. energy: 0.540
local terms energy: -70.367539
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -105.468809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.468809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.468809 (E_RNA)
where:
Base-Base interactions energy: -58.783
where: short stacking energy: -22.234
Base-Backbone interact. energy: -0.821
local terms energy: -45.865446
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -81.555910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555910 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -35.499
Base-Backbone interact. energy: 0.756
local terms energy: -45.494490
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -87.779220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.779220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.779220 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.022
local terms energy: -54.168554
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -5.516
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: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -78.848894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.848894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.848894 (E_RNA)
where:
Base-Base interactions energy: -27.159
where: short stacking energy: -27.159
Base-Backbone interact. energy: 0.177
local terms energy: -51.867431
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.012
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: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -229.720581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.720581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.720581 (E_RNA)
where:
Base-Base interactions energy: -154.742
where: short stacking energy: -68.150
Base-Backbone interact. energy: 0.031
local terms energy: -75.009456
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -212.564307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.564307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.564307 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.003
local terms energy: -75.665085
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -225.490521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490521 (E_RNA)
where:
Base-Base interactions energy: -148.027
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.161
local terms energy: -77.302005
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -17.025
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: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -204.502417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502417 (E_RNA)
where:
Base-Base interactions energy: -141.459
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.802
local terms energy: -62.241358
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -181.097372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.097372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.097372 (E_RNA)
where:
Base-Base interactions energy: -108.276
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.073
local terms energy: -72.748712
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -190.079272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.079272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.079272 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.017
local terms energy: -61.066224
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -8.649
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -90.102346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.102346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.102346 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -20.084
Base-Backbone interact. energy: 0.286
local terms energy: -57.506483
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -81.098145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.098145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.098145 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.257
local terms energy: -51.289785
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -103.459957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.459957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.459957 (E_RNA)
where:
Base-Base interactions energy: -51.057
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.152
local terms energy: -52.251783
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -100.608733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.608733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.608733 (E_RNA)
where:
Base-Base interactions energy: -49.161
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.231
local terms energy: -51.215990
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -218.284087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.284087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.284087 (E_RNA)
where:
Base-Base interactions energy: -140.270
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.011
local terms energy: -78.002837
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -18.671
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: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -227.700679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.700679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.700679 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.330
local terms energy: -74.397103
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -225.072580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.072580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.072580 (E_RNA)
where:
Base-Base interactions energy: -153.283
where: short stacking energy: -72.718
Base-Backbone interact. energy: 1.245
local terms energy: -73.034435
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -192.934198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.934198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.934198 (E_RNA)
where:
Base-Base interactions energy: -116.822
where: short stacking energy: -59.006
Base-Backbone interact. energy: 0.324
local terms energy: -76.436394
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -191.155274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.155274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.155274 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -60.532
Base-Backbone interact. energy: -1.315
local terms energy: -64.026832
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -170.913689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.913689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.913689 (E_RNA)
where:
Base-Base interactions energy: -111.114
where: short stacking energy: -49.273
Base-Backbone interact. energy: 0.724
local terms energy: -60.523268
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -5.733
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.771
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: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -101.735203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.735203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.735203 (E_RNA)
where:
Base-Base interactions energy: -51.707
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.411
local terms energy: -49.617374
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.015
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: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -109.787671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.787671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.787671 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.572
local terms energy: -62.560254
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -78.640175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.640175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.640175 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -11.824
Base-Backbone interact. energy: -0.253
local terms energy: -45.921171
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -6.208
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: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -85.822421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.822421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.822421 (E_RNA)
where:
Base-Base interactions energy: -38.635
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.107
local terms energy: -47.081007
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -4.320
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: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -232.129554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.129554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.129554 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -80.034
Base-Backbone interact. energy: -0.000
local terms energy: -80.498252
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -215.681986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.681986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.681986 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -64.584
Base-Backbone interact. energy: -0.227
local terms energy: -72.203875
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -221.849159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.849159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.849159 (E_RNA)
where:
Base-Base interactions energy: -151.157
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.282
local terms energy: -70.410407
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -190.324223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.324223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.324223 (E_RNA)
where:
Base-Base interactions energy: -122.251
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.468
local terms energy: -67.605534
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -190.570696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.570696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.570696 (E_RNA)
where:
Base-Base interactions energy: -117.325
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.008
local terms energy: -73.237596
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.176
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: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -173.170119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.170119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.170119 (E_RNA)
where:
Base-Base interactions energy: -104.460
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.035
local terms energy: -68.674951
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.579
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: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -90.959518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959518 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -30.164
Base-Backbone interact. energy: 1.092
local terms energy: -55.230377
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -87.064526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064526 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.151
local terms energy: -50.133999
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -79.405593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.405593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.405593 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -31.570
Base-Backbone interact. energy: -0.040
local terms energy: -48.195129
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -78.485580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.485580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.485580 (E_RNA)
where:
Base-Base interactions energy: -28.328
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.029
local terms energy: -50.127847
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -231.353967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.353967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.353967 (E_RNA)
where:
Base-Base interactions energy: -152.670
where: short stacking energy: -78.490
Base-Backbone interact. energy: -0.004
local terms energy: -78.680021
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -233.331201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.331201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.331201 (E_RNA)
where:
Base-Base interactions energy: -165.199
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.214
local terms energy: -67.918291
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -225.690490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.690490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.690490 (E_RNA)
where:
Base-Base interactions energy: -147.426
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.771
local terms energy: -77.492691
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -19.453
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: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -181.849787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.849787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.849787 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.077
local terms energy: -68.087954
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -199.217697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.217697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.217697 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -56.152
Base-Backbone interact. energy: 0.304
local terms energy: -68.741458
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -156.867591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.867591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.867591 (E_RNA)
where:
Base-Base interactions energy: -95.963
where: short stacking energy: -48.856
Base-Backbone interact. energy: 0.719
local terms energy: -61.622791
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -109.961388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.961388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.961388 (E_RNA)
where:
Base-Base interactions energy: -50.499
where: short stacking energy: -39.572
Base-Backbone interact. energy: 0.223
local terms energy: -59.685572
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -13.115
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -83.308669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308669 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.038
local terms energy: -48.219170
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -5.044
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -84.361283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.361283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.361283 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.154
local terms energy: -55.115193
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -75.118144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.118144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.118144 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -22.868
Base-Backbone interact. energy: -0.090
local terms energy: -47.560265
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -227.550789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.550789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.550789 (E_RNA)
where:
Base-Base interactions energy: -144.029
where: short stacking energy: -76.532
Base-Backbone interact. energy: 0.467
local terms energy: -83.989121
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -22.663
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: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -229.068971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.068971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.068971 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.866
local terms energy: -75.078234
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -224.577254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.577254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.577254 (E_RNA)
where:
Base-Base interactions energy: -161.287
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.080
local terms energy: -63.210784
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -170.640151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.640151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.640151 (E_RNA)
where:
Base-Base interactions energy: -112.812
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.426
local terms energy: -57.401828
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -176.421321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.421321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.421321 (E_RNA)
where:
Base-Base interactions energy: -117.495
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.101
local terms energy: -58.825821
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -167.159151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.159151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.159151 (E_RNA)
where:
Base-Base interactions energy: -98.273
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.002
local terms energy: -68.884551
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -14.970
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: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -135.518732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.518732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.518732 (E_RNA)
where:
Base-Base interactions energy: -83.847
where: short stacking energy: -42.472
Base-Backbone interact. energy: -0.001
local terms energy: -51.670359
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -0.783
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -84.220764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220764 (E_RNA)
where:
Base-Base interactions energy: -34.147
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.098
local terms energy: -49.976676
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -6.713
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -86.893364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893364 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -34.915
Base-Backbone interact. energy: 0.108
local terms energy: -51.169442
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -86.740171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740171 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -20.001
Base-Backbone interact. energy: -0.201
local terms energy: -42.384645
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -10.956
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: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -233.212124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.212124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.212124 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -71.099
Base-Backbone interact. energy: -1.206
local terms energy: -80.120086
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -223.090456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090456 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -77.065
Base-Backbone interact. energy: -0.018
local terms energy: -81.086459
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -225.242806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.242806 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.704
local terms energy: -72.021962
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -199.188599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.188599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.188599 (E_RNA)
where:
Base-Base interactions energy: -131.041
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.137
local terms energy: -68.010405
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -184.824961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.824961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.824961 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.031
local terms energy: -63.686778
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -175.935282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.935282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.935282 (E_RNA)
where:
Base-Base interactions energy: -113.030
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.016
local terms energy: -62.889613
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -148.387506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.387506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.387506 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -37.871
Base-Backbone interact. energy: -0.112
local terms energy: -52.928788
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -9.778
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: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -91.252323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.252323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.252323 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -27.568
Base-Backbone interact. energy: 0.135
local terms energy: -59.297675
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -146.506608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.506608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.506608 (E_RNA)
where:
Base-Base interactions energy: -93.674
where: short stacking energy: -43.109
Base-Backbone interact. energy: -0.303
local terms energy: -52.528910
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -1.215
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -73.204951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.204951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.204951 (E_RNA)
where:
Base-Base interactions energy: -24.399
where: short stacking energy: -17.996
Base-Backbone interact. energy: -0.201
local terms energy: -48.605038
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -236.081708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.081708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.081708 (E_RNA)
where:
Base-Base interactions energy: -152.392
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.468
local terms energy: -83.222300
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -10.291
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -217.820630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.820630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.820630 (E_RNA)
where:
Base-Base interactions energy: -144.816
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.249
local terms energy: -72.755725
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -16.116
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: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -202.682548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.682548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.682548 (E_RNA)
where:
Base-Base interactions energy: -128.137
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.502
local terms energy: -74.044107
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -186.260406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.260406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.260406 (E_RNA)
where:
Base-Base interactions energy: -118.656
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.069
local terms energy: -67.535415
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -169.231871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.231871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.231871 (E_RNA)
where:
Base-Base interactions energy: -106.744
where: short stacking energy: -50.152
Base-Backbone interact. energy: -0.130
local terms energy: -62.357963
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -147.643376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.643376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.643376 (E_RNA)
where:
Base-Base interactions energy: -91.090
where: short stacking energy: -38.197
Base-Backbone interact. energy: -0.146
local terms energy: -56.407408
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -7.813
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: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -173.135684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.135684 (E_RNA)
where:
Base-Base interactions energy: -108.744
where: short stacking energy: -54.719
Base-Backbone interact. energy: 0.381
local terms energy: -64.772457
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -156.934170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.934170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.934170 (E_RNA)
where:
Base-Base interactions energy: -91.933
where: short stacking energy: -41.139
Base-Backbone interact. energy: -0.846
local terms energy: -64.155577
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -85.122166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.122166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.122166 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.012
local terms energy: -49.182387
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.866253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.866253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.866253 (E_RNA)
where:
Base-Base interactions energy: -30.181
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.290
local terms energy: -50.395092
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -229.108225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108225 (E_RNA)
where:
Base-Base interactions energy: -150.024
where: short stacking energy: -66.342
Base-Backbone interact. energy: -0.257
local terms energy: -78.827191
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -21.782
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -227.649895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.649895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649895 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -66.987
Base-Backbone interact. energy: -1.548
local terms energy: -74.388085
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -207.128036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128036 (E_RNA)
where:
Base-Base interactions energy: -133.614
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.001
local terms energy: -73.513454
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -180.917747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.917747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.917747 (E_RNA)
where:
Base-Base interactions energy: -109.034
where: short stacking energy: -51.890
Base-Backbone interact. energy: -0.485
local terms energy: -71.398829
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -14.606
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: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -167.019918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019918 (E_RNA)
where:
Base-Base interactions energy: -106.571
where: short stacking energy: -48.901
Base-Backbone interact. energy: -0.439
local terms energy: -60.010212
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -179.853129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.853129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.853129 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.021
local terms energy: -59.368949
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -177.013635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013635 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.559
local terms energy: -55.405683
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -10.063
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: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -154.849120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.849120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.849120 (E_RNA)
where:
Base-Base interactions energy: -97.186
where: short stacking energy: -53.173
Base-Backbone interact. energy: 0.123
local terms energy: -57.785961
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -90.110504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.110504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.110504 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.103
local terms energy: -55.167647
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -7.703
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -80.436583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.436583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.436583 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -16.800
Base-Backbone interact. energy: -0.890
local terms energy: -46.171966
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -222.767743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767743 (E_RNA)
where:
Base-Base interactions energy: -147.474
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.581
local terms energy: -74.712825
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -223.420697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.420697 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.723
local terms energy: -78.174754
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -221.879883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.879883 (E_RNA)
where:
Base-Base interactions energy: -151.829
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.855
local terms energy: -69.196203
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -184.943082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.943082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.943082 (E_RNA)
where:
Base-Base interactions energy: -117.207
where: short stacking energy: -56.757
Base-Backbone interact. energy: 2.358
local terms energy: -70.093537
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -174.008103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.008103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.008103 (E_RNA)
where:
Base-Base interactions energy: -109.474
where: short stacking energy: -56.959
Base-Backbone interact. energy: -0.055
local terms energy: -64.478889
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -166.331922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.331922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.331922 (E_RNA)
where:
Base-Base interactions energy: -110.039
where: short stacking energy: -43.920
Base-Backbone interact. energy: 0.454
local terms energy: -56.747202
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -14.038
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: 391
Temperature: 1.200000
Total energy: -163.968363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.968363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.968363 (E_RNA)
where:
Base-Base interactions energy: -104.063
where: short stacking energy: -39.600
Base-Backbone interact. energy: -0.172
local terms energy: -59.733106
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -83.929273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929273 (E_RNA)
where:
Base-Base interactions energy: -39.687
where: short stacking energy: -34.204
Base-Backbone interact. energy: 0.121
local terms energy: -44.363919
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -4.226
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -126.304314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.304314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.304314 (E_RNA)
where:
Base-Base interactions energy: -77.471
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.054
local terms energy: -48.779131
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -73.197469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.197469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.197469 (E_RNA)
where:
Base-Base interactions energy: -18.290
where: short stacking energy: -18.079
Base-Backbone interact. energy: 0.313
local terms energy: -55.219661
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -233.091857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.091857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.091857 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -79.232
Base-Backbone interact. energy: -0.469
local terms energy: -83.095757
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -228.046325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046325 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.336
local terms energy: -66.875647
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -215.910197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.910197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.910197 (E_RNA)
where:
Base-Base interactions energy: -150.446
where: short stacking energy: -65.056
Base-Backbone interact. energy: -0.495
local terms energy: -64.968729
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.090
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: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -184.377399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.377399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.377399 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.009
local terms energy: -68.308616
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -14.338
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: 392
Temperature: 1.100000
Total energy: -175.891827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891827 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.102
local terms energy: -63.044583
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -174.883991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883991 (E_RNA)
where:
Base-Base interactions energy: -110.765
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.101
local terms energy: -64.018006
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -11.591
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -166.721613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.721613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.721613 (E_RNA)
where:
Base-Base interactions energy: -108.183
where: short stacking energy: -47.137
Base-Backbone interact. energy: -0.006
local terms energy: -58.532704
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -105.382822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.382822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.382822 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.008
local terms energy: -54.435816
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.739794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739794 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.076
local terms energy: -53.883921
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -69.450944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.450944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.450944 (E_RNA)
where:
Base-Base interactions energy: -17.637
where: short stacking energy: -17.637
Base-Backbone interact. energy: -0.200
local terms energy: -51.613768
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -13.425
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: 393
Temperature: 0.900000
Total energy: -227.538178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538178 (E_RNA)
where:
Base-Base interactions energy: -143.869
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.124
local terms energy: -83.545923
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -228.626542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.626542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.626542 (E_RNA)
where:
Base-Base interactions energy: -150.326
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.366
local terms energy: -77.934369
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -231.726334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.726334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.726334 (E_RNA)
where:
Base-Base interactions energy: -156.661
where: short stacking energy: -58.257
Base-Backbone interact. energy: -0.726
local terms energy: -74.339627
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -183.733418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.733418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.733418 (E_RNA)
where:
Base-Base interactions energy: -107.546
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.002
local terms energy: -76.185429
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -166.126813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.126813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.126813 (E_RNA)
where:
Base-Base interactions energy: -99.463
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.034
local terms energy: -66.629712
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -169.820346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.820346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.820346 (E_RNA)
where:
Base-Base interactions energy: -113.410
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.121
local terms energy: -56.290126
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -8.328
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -163.833035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833035 (E_RNA)
where:
Base-Base interactions energy: -98.062
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.286
local terms energy: -65.485144
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -8.196
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: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -94.549988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549988 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -39.665
Base-Backbone interact. energy: -0.090
local terms energy: -50.541249
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -90.736183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736183 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -30.419
Base-Backbone interact. energy: 1.486
local terms energy: -58.231973
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -8.346
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: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -74.494618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.494618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.494618 (E_RNA)
where:
Base-Base interactions energy: -25.102
where: short stacking energy: -25.102
Base-Backbone interact. energy: -0.531
local terms energy: -48.862045
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -230.417877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.417877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.417877 (E_RNA)
where:
Base-Base interactions energy: -159.123
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.253
local terms energy: -71.042090
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.183
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: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -223.195621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.195621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.195621 (E_RNA)
where:
Base-Base interactions energy: -141.097
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.000
local terms energy: -82.098084
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -226.133399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.133399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.133399 (E_RNA)
where:
Base-Base interactions energy: -155.418
where: short stacking energy: -61.159
Base-Backbone interact. energy: 0.051
local terms energy: -70.766867
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -186.450032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.450032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.450032 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.062
local terms energy: -70.770563
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -176.456621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.456621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.456621 (E_RNA)
where:
Base-Base interactions energy: -120.052
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.187
local terms energy: -56.217361
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -12.841
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -168.826184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.826184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.826184 (E_RNA)
where:
Base-Base interactions energy: -104.595
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.710
local terms energy: -63.520555
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -11.258
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -168.876104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876104 (E_RNA)
where:
Base-Base interactions energy: -110.906
where: short stacking energy: -46.720
Base-Backbone interact. energy: -0.229
local terms energy: -57.740299
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -11.037
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: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -85.041013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041013 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -24.354
Base-Backbone interact. energy: -0.161
local terms energy: -44.902996
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.172289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.172289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.172289 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -21.776
Base-Backbone interact. energy: 0.173
local terms energy: -47.873349
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: 5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -78.357126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.357126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.357126 (E_RNA)
where:
Base-Base interactions energy: -24.574
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.312
local terms energy: -53.470612
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -229.102613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.102613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.102613 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.500
local terms energy: -75.752260
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -230.620369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.620369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.620369 (E_RNA)
where:
Base-Base interactions energy: -166.269
where: short stacking energy: -65.251
Base-Backbone interact. energy: -0.310
local terms energy: -64.040728
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -213.147615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.147615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.147615 (E_RNA)
where:
Base-Base interactions energy: -133.929
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.465
local terms energy: -78.753417
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -199.260549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.260549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.260549 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -58.835
Base-Backbone interact. energy: -0.130
local terms energy: -72.189618
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -172.252746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.252746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.252746 (E_RNA)
where:
Base-Base interactions energy: -112.628
where: short stacking energy: -44.980
Base-Backbone interact. energy: 1.109
local terms energy: -60.733426
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -164.931182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.931182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.931182 (E_RNA)
where:
Base-Base interactions energy: -111.823
where: short stacking energy: -53.107
Base-Backbone interact. energy: -0.167
local terms energy: -52.940681
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -7.937
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -175.444540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.444540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.444540 (E_RNA)
where:
Base-Base interactions energy: -110.317
where: short stacking energy: -50.320
Base-Backbone interact. energy: -0.132
local terms energy: -64.996179
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -86.740093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740093 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -33.422
Base-Backbone interact. energy: 0.261
local terms energy: -53.979121
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -88.007753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.007753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.007753 (E_RNA)
where:
Base-Base interactions energy: -38.238
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.184
local terms energy: -49.585632
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -5.623
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: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -77.737563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737563 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -26.329
Base-Backbone interact. energy: -0.661
local terms energy: -50.747351
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -234.043504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.043504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.043504 (E_RNA)
where:
Base-Base interactions energy: -159.851
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.702
local terms energy: -73.490283
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -213.858336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.858336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.858336 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.189
local terms energy: -69.728044
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -193.344815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344815 (E_RNA)
where:
Base-Base interactions energy: -119.061
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.499
local terms energy: -73.785667
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -16.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -205.325717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.325717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.325717 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.469
local terms energy: -63.563311
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -170.146253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.146253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.146253 (E_RNA)
where:
Base-Base interactions energy: -109.429
where: short stacking energy: -47.277
Base-Backbone interact. energy: -0.131
local terms energy: -60.586356
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -11.340
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: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -181.314305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.314305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.314305 (E_RNA)
where:
Base-Base interactions energy: -114.381
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.019
local terms energy: -66.913675
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -102.112846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.112846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.112846 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -45.736
Base-Backbone interact. energy: -0.162
local terms energy: -56.215046
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -155.747760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.747760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.747760 (E_RNA)
where:
Base-Base interactions energy: -103.337
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.221
local terms energy: -52.189326
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -76.739116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.739116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.739116 (E_RNA)
where:
Base-Base interactions energy: -30.280
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.886
local terms energy: -45.572875
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -76.587558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587558 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -19.518
Base-Backbone interact. energy: -0.495
local terms energy: -52.029703
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -234.196615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.196615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.196615 (E_RNA)
where:
Base-Base interactions energy: -155.318
where: short stacking energy: -65.796
Base-Backbone interact. energy: -0.450
local terms energy: -78.428345
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -211.891638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.891638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.891638 (E_RNA)
where:
Base-Base interactions energy: -134.898
where: short stacking energy: -68.490
Base-Backbone interact. energy: -0.562
local terms energy: -76.431703
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.891
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: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -215.619923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.619923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619923 (E_RNA)
where:
Base-Base interactions energy: -148.457
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.477
local terms energy: -66.685669
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -179.908008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908008 (E_RNA)
where:
Base-Base interactions energy: -114.802
where: short stacking energy: -57.293
Base-Backbone interact. energy: -0.175
local terms energy: -64.931398
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -196.665184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.665184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.665184 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.581
local terms energy: -70.015191
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -161.155794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.155794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.155794 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.088
local terms energy: -57.314249
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -99.043141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.043141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.043141 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.520
local terms energy: -51.414761
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -3.047
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: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -149.269320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.269320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.269320 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.396
local terms energy: -53.694399
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -7.218
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -79.204557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.204557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.204557 (E_RNA)
where:
Base-Base interactions energy: -25.267
where: short stacking energy: -19.191
Base-Backbone interact. energy: -0.073
local terms energy: -53.865110
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -80.337846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.337846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.337846 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -33.788
Base-Backbone interact. energy: 0.124
local terms energy: -36.158009
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -6.185
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -207.434526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434526 (E_RNA)
where:
Base-Base interactions energy: -128.723
where: short stacking energy: -69.452
Base-Backbone interact. energy: -0.780
local terms energy: -77.931582
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -239.839233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.839233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.839233 (E_RNA)
where:
Base-Base interactions energy: -157.962
where: short stacking energy: -71.101
Base-Backbone interact. energy: 0.001
local terms energy: -81.878619
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -208.454385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.454385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.454385 (E_RNA)
where:
Base-Base interactions energy: -149.096
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.384
local terms energy: -58.975163
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -183.374173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.374173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.374173 (E_RNA)
where:
Base-Base interactions energy: -117.062
where: short stacking energy: -50.964
Base-Backbone interact. energy: -0.216
local terms energy: -66.095841
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.161
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: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -201.762851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.762851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.762851 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.785
local terms energy: -68.032221
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -164.593006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.593006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.593006 (E_RNA)
where:
Base-Base interactions energy: -104.811
where: short stacking energy: -45.208
Base-Backbone interact. energy: 0.974
local terms energy: -60.756879
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -149.753557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.753557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.753557 (E_RNA)
where:
Base-Base interactions energy: -89.928
where: short stacking energy: -46.562
Base-Backbone interact. energy: -0.436
local terms energy: -59.389835
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -83.231373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.231373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.231373 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -22.375
Base-Backbone interact. energy: 0.596
local terms energy: -54.034707
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -4.923
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -79.100554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.100554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.100554 (E_RNA)
where:
Base-Base interactions energy: -24.299
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.466
local terms energy: -54.335212
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -83.678572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.678572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.678572 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.388
local terms energy: -47.377749
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -211.598875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.598875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598875 (E_RNA)
where:
Base-Base interactions energy: -133.670
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.057
local terms energy: -77.871751
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -234.881910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.881910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.881910 (E_RNA)
where:
Base-Base interactions energy: -160.063
where: short stacking energy: -74.204
Base-Backbone interact. energy: -1.929
local terms energy: -72.889340
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -219.231196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.231196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.231196 (E_RNA)
where:
Base-Base interactions energy: -157.782
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.184
local terms energy: -61.265057
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -182.795654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.795654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.795654 (E_RNA)
where:
Base-Base interactions energy: -114.219
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.109
local terms energy: -68.467946
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -199.941486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941486 (E_RNA)
where:
Base-Base interactions energy: -129.029
where: short stacking energy: -64.317
Base-Backbone interact. energy: -0.001
local terms energy: -70.911688
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -191.125838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.125838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.125838 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.100
local terms energy: -67.819005
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -18.109
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -156.181047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.181047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.181047 (E_RNA)
where:
Base-Base interactions energy: -98.643
where: short stacking energy: -49.798
Base-Backbone interact. energy: -1.167
local terms energy: -56.370841
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -91.210349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.210349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.210349 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.124
local terms energy: -58.307159
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -84.170704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.170704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.170704 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -31.337
Base-Backbone interact. energy: 0.817
local terms energy: -53.650311
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -78.869744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.869744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.869744 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.230
local terms energy: -43.220647
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -219.592654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.592654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592654 (E_RNA)
where:
Base-Base interactions energy: -149.622
where: short stacking energy: -62.593
Base-Backbone interact. energy: -1.285
local terms energy: -68.685624
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -14.494
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: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -203.907232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.907232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.907232 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.950
local terms energy: -80.304793
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -221.587728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.587728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.587728 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.192
local terms energy: -68.682664
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -186.559171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559171 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -55.177
Base-Backbone interact. energy: -0.210
local terms energy: -66.133183
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -8.736
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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -187.580343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.580343 (E_RNA)
where:
Base-Base interactions energy: -117.867
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.037
local terms energy: -69.676876
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -191.587785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.587785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.587785 (E_RNA)
where:
Base-Base interactions energy: -119.855
where: short stacking energy: -57.407
Base-Backbone interact. energy: -0.680
local terms energy: -71.053152
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -86.554230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.554230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.554230 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -22.539
Base-Backbone interact. energy: 0.339
local terms energy: -54.059415
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -169.147667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.147667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147667 (E_RNA)
where:
Base-Base interactions energy: -103.962
where: short stacking energy: -53.767
Base-Backbone interact. energy: -1.152
local terms energy: -64.033960
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -81.548764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548764 (E_RNA)
where:
Base-Base interactions energy: -34.022
where: short stacking energy: -25.815
Base-Backbone interact. energy: 0.035
local terms energy: -47.561069
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -6.927
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: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -87.146032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146032 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -28.855
Base-Backbone interact. energy: -0.030
local terms energy: -55.316336
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -227.131322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.131322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.131322 (E_RNA)
where:
Base-Base interactions energy: -149.223
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.372
local terms energy: -77.536437
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -224.375520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375520 (E_RNA)
where:
Base-Base interactions energy: -152.687
where: short stacking energy: -72.077
Base-Backbone interact. energy: -0.237
local terms energy: -71.451651
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.626
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: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -201.204001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.204001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.204001 (E_RNA)
where:
Base-Base interactions energy: -128.772
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.025
local terms energy: -72.406999
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -187.332179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.332179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.332179 (E_RNA)
where:
Base-Base interactions energy: -119.780
where: short stacking energy: -56.369
Base-Backbone interact. energy: -0.106
local terms energy: -67.445333
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -8.270
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: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -165.839625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.839625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.839625 (E_RNA)
where:
Base-Base interactions energy: -99.404
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.095
local terms energy: -66.341161
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -209.536838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.536838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.536838 (E_RNA)
where:
Base-Base interactions energy: -133.118
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.006
local terms energy: -76.412602
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -98.826867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826867 (E_RNA)
where:
Base-Base interactions energy: -44.715
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.083
local terms energy: -54.028698
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -4.789
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: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -181.070187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.070187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.070187 (E_RNA)
where:
Base-Base interactions energy: -118.526
where: short stacking energy: -57.533
Base-Backbone interact. energy: 1.785
local terms energy: -64.329650
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -144.046471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.046471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.046471 (E_RNA)
where:
Base-Base interactions energy: -92.784
where: short stacking energy: -49.314
Base-Backbone interact. energy: 0.179
local terms energy: -51.441145
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -3.769
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -86.728952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.728952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.728952 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.073
local terms energy: -51.420602
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -222.294735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.294735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294735 (E_RNA)
where:
Base-Base interactions energy: -142.920
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.479
local terms energy: -78.896324
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -223.292487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.292487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.292487 (E_RNA)
where:
Base-Base interactions energy: -142.973
where: short stacking energy: -61.818
Base-Backbone interact. energy: -0.472
local terms energy: -79.847083
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -200.018501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.018501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.018501 (E_RNA)
where:
Base-Base interactions energy: -126.426
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.008
local terms energy: -73.584265
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -169.831709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.831709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.831709 (E_RNA)
where:
Base-Base interactions energy: -106.874
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.345
local terms energy: -62.612331
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -7.818
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: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -187.293282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.293282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.293282 (E_RNA)
where:
Base-Base interactions energy: -124.720
where: short stacking energy: -53.381
Base-Backbone interact. energy: -1.733
local terms energy: -60.839938
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -161.825256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.825256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.825256 (E_RNA)
where:
Base-Base interactions energy: -101.052
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.046
local terms energy: -60.726599
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -155.017505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.017505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.017505 (E_RNA)
where:
Base-Base interactions energy: -102.187
where: short stacking energy: -51.346
Base-Backbone interact. energy: 0.720
local terms energy: -53.550376
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -83.206373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.206373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.206373 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -31.517
Base-Backbone interact. energy: 0.274
local terms energy: -49.190104
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.807562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807562 (E_RNA)
where:
Base-Base interactions energy: -36.925
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.229
local terms energy: -44.653162
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -4.215
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -142.072932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.072932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.072932 (E_RNA)
where:
Base-Base interactions energy: -97.115
where: short stacking energy: -45.377
Base-Backbone interact. energy: -0.265
local terms energy: -44.693312
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -0.281
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -222.534882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.534882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534882 (E_RNA)
where:
Base-Base interactions energy: -153.785
where: short stacking energy: -58.218
Base-Backbone interact. energy: -0.081
local terms energy: -68.669684
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -6.656
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: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -204.540107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.540107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.540107 (E_RNA)
where:
Base-Base interactions energy: -137.445
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.012
local terms energy: -67.083396
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -221.092572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092572 (E_RNA)
where:
Base-Base interactions energy: -156.270
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.304
local terms energy: -64.518612
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -206.044505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.044505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.044505 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.148
local terms energy: -77.627082
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -189.562684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.562684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.562684 (E_RNA)
where:
Base-Base interactions energy: -122.938
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.343
local terms energy: -66.282242
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -186.859730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859730 (E_RNA)
where:
Base-Base interactions energy: -124.072
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.788
local terms energy: -62.000331
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -174.866449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.866449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.866449 (E_RNA)
where:
Base-Base interactions energy: -104.043
where: short stacking energy: -41.784
Base-Backbone interact. energy: 0.091
local terms energy: -70.914710
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.626
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: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -89.646833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646833 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.043
local terms energy: -59.418368
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -86.370513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.370513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.370513 (E_RNA)
where:
Base-Base interactions energy: -43.541
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.115
local terms energy: -42.714738
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -4.474
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: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -81.260222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.260222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.260222 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.210
local terms energy: -46.563988
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -4.988
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: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -222.891912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.891912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.891912 (E_RNA)
where:
Base-Base interactions energy: -152.325
where: short stacking energy: -74.389
Base-Backbone interact. energy: -0.639
local terms energy: -69.927766
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.685
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: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -218.227457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227457 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.128
local terms energy: -75.975251
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.891
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: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -214.318806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.318806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318806 (E_RNA)
where:
Base-Base interactions energy: -136.616
where: short stacking energy: -80.028
Base-Backbone interact. energy: -0.534
local terms energy: -77.167860
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -22.963
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: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -219.521658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.521658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.521658 (E_RNA)
where:
Base-Base interactions energy: -156.113
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.422
local terms energy: -62.986336
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -190.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.582126 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -55.250
Base-Backbone interact. energy: -2.048
local terms energy: -72.068043
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -170.556096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.556096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.556096 (E_RNA)
where:
Base-Base interactions energy: -115.550
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.353
local terms energy: -54.653070
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.158
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -163.282539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.282539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.282539 (E_RNA)
where:
Base-Base interactions energy: -96.703
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.253
local terms energy: -66.326843
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -84.478676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478676 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.052
local terms energy: -49.159396
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -80.765411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765411 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -21.145
Base-Backbone interact. energy: 0.258
local terms energy: -46.755757
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: 0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -100.168480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.168480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.168480 (E_RNA)
where:
Base-Base interactions energy: -43.589
where: short stacking energy: -30.314
Base-Backbone interact. energy: -0.397
local terms energy: -56.182747
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -222.123184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.123184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.123184 (E_RNA)
where:
Base-Base interactions energy: -147.125
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.002
local terms energy: -74.995697
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -215.664522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.664522 (E_RNA)
where:
Base-Base interactions energy: -145.360
where: short stacking energy: -70.426
Base-Backbone interact. energy: 0.679
local terms energy: -70.983318
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -15.717
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -219.479852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.479852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.479852 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.161
local terms energy: -66.076617
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -221.212474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.212474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.212474 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.529
local terms energy: -79.356189
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -191.756424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.756424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.756424 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -72.726
Base-Backbone interact. energy: -0.027
local terms energy: -60.671444
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -165.174981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.174981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.174981 (E_RNA)
where:
Base-Base interactions energy: -102.112
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.180
local terms energy: -62.883006
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -172.544596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544596 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.112
local terms energy: -58.030328
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -13.902
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: 405
Temperature: 1.250000
Total energy: -77.308726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.308726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.308726 (E_RNA)
where:
Base-Base interactions energy: -27.257
where: short stacking energy: -26.789
Base-Backbone interact. energy: -0.095
local terms energy: -49.956925
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -7.512
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: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -76.188848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.188848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.188848 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -30.371
Base-Backbone interact. energy: 0.520
local terms energy: -43.430819
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.653440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.653440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.653440 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.171
local terms energy: -47.246562
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -222.193327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.193327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.193327 (E_RNA)
where:
Base-Base interactions energy: -136.010
where: short stacking energy: -71.540
Base-Backbone interact. energy: -0.428
local terms energy: -85.755987
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -212.181237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181237 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -75.045
Base-Backbone interact. energy: -0.003
local terms energy: -73.612437
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -22.442
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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -212.681184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.681184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.681184 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.623
local terms energy: -64.221082
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -18.515
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: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -211.103672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.103672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.103672 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.143
local terms energy: -58.177830
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -193.257334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257334 (E_RNA)
where:
Base-Base interactions energy: -118.526
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.808
local terms energy: -73.924114
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -19.110
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: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -173.211985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.211985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.211985 (E_RNA)
where:
Base-Base interactions energy: -106.846
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.114
local terms energy: -66.252412
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -16.546
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: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -150.127641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.127641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.127641 (E_RNA)
where:
Base-Base interactions energy: -90.616
where: short stacking energy: -46.510
Base-Backbone interact. energy: -0.117
local terms energy: -59.394788
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -93.437169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.437169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.437169 (E_RNA)
where:
Base-Base interactions energy: -41.762
where: short stacking energy: -22.295
Base-Backbone interact. energy: 0.758
local terms energy: -52.433347
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -82.266389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266389 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.108
local terms energy: -55.082278
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -78.199840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.199840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.199840 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.185
local terms energy: -50.390812
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -227.792017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.792017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.792017 (E_RNA)
where:
Base-Base interactions energy: -148.027
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.002
local terms energy: -79.763400
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -227.375395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.375395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.375395 (E_RNA)
where:
Base-Base interactions energy: -154.233
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.843
local terms energy: -72.298903
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -203.193563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.193563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.193563 (E_RNA)
where:
Base-Base interactions energy: -130.376
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.015
local terms energy: -72.803076
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -221.404078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.404078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.404078 (E_RNA)
where:
Base-Base interactions energy: -146.327
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.094
local terms energy: -74.982353
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -200.673965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.673965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.673965 (E_RNA)
where:
Base-Base interactions energy: -117.464
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.029
local terms energy: -83.180836
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -179.645710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645710 (E_RNA)
where:
Base-Base interactions energy: -108.920
where: short stacking energy: -51.341
Base-Backbone interact. energy: -0.008
local terms energy: -70.717412
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -171.576855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.576855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.576855 (E_RNA)
where:
Base-Base interactions energy: -109.134
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.491
local terms energy: -61.951149
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -98.958333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.958333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.958333 (E_RNA)
where:
Base-Base interactions energy: -43.436
where: short stacking energy: -21.723
Base-Backbone interact. energy: -0.803
local terms energy: -54.719021
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -79.959626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.959626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.959626 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -33.439
Base-Backbone interact. energy: 0.673
local terms energy: -45.251735
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -87.940151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.940151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.940151 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.030
local terms energy: -55.330200
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -228.693868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.693868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.693868 (E_RNA)
where:
Base-Base interactions energy: -149.359
where: short stacking energy: -63.346
Base-Backbone interact. energy: -0.667
local terms energy: -78.667523
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -213.415935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.415935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.415935 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.002
local terms energy: -73.837147
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -224.695987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.695987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.695987 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.283
local terms energy: -69.097321
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -194.957241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.957241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.957241 (E_RNA)
where:
Base-Base interactions energy: -124.742
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.221
local terms energy: -69.993851
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -16.387
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: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.404080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.404080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.404080 (E_RNA)
where:
Base-Base interactions energy: -120.573
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.706
local terms energy: -61.125492
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -170.539936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.539936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.539936 (E_RNA)
where:
Base-Base interactions energy: -108.002
where: short stacking energy: -55.696
Base-Backbone interact. energy: 0.612
local terms energy: -63.149375
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -127.900523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.900523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.900523 (E_RNA)
where:
Base-Base interactions energy: -72.221
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.126
local terms energy: -55.554086
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -93.329441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.329441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.329441 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.221
local terms energy: -60.476376
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -76.313840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.313840 (E_RNA)
where:
Base-Base interactions energy: -27.428
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.287
local terms energy: -48.598979
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -7.484
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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -100.445115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445115 (E_RNA)
where:
Base-Base interactions energy: -45.213
where: short stacking energy: -31.868
Base-Backbone interact. energy: 0.153
local terms energy: -55.385578
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -234.513260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.513260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.513260 (E_RNA)
where:
Base-Base interactions energy: -155.437
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.038
local terms energy: -79.038687
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -219.846223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.846223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.846223 (E_RNA)
where:
Base-Base interactions energy: -150.597
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.229
local terms energy: -69.020068
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -214.537086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.537086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.537086 (E_RNA)
where:
Base-Base interactions energy: -144.775
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.000
local terms energy: -69.761854
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -177.417359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.417359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.417359 (E_RNA)
where:
Base-Base interactions energy: -112.450
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.698
local terms energy: -64.269081
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -13.126
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: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -183.392735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.392735 (E_RNA)
where:
Base-Base interactions energy: -120.535
where: short stacking energy: -49.715
Base-Backbone interact. energy: -0.469
local terms energy: -62.388955
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -156.821000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.821000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.821000 (E_RNA)
where:
Base-Base interactions energy: -96.661
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.069
local terms energy: -60.090573
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -9.405
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: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -145.604839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.604839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.604839 (E_RNA)
where:
Base-Base interactions energy: -96.724
where: short stacking energy: -39.680
Base-Backbone interact. energy: -0.154
local terms energy: -48.726414
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -86.797384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.797384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.797384 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.020
local terms energy: -53.110457
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -79.010058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010058 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -24.614
Base-Backbone interact. energy: -0.581
local terms energy: -50.981971
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -87.448621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448621 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.009
local terms energy: -51.994214
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -231.847362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.847362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.847362 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -70.795
Base-Backbone interact. energy: -0.385
local terms energy: -71.653993
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -219.895168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895168 (E_RNA)
where:
Base-Base interactions energy: -154.536
where: short stacking energy: -69.635
Base-Backbone interact. energy: 0.137
local terms energy: -65.496200
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -201.429632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429632 (E_RNA)
where:
Base-Base interactions energy: -123.164
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.778
local terms energy: -77.488031
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -211.000072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.000072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.000072 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.000
local terms energy: -71.131882
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -182.860220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.860220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.860220 (E_RNA)
where:
Base-Base interactions energy: -115.460
where: short stacking energy: -51.427
Base-Backbone interact. energy: -0.073
local terms energy: -67.326781
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -139.949607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.949607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.949607 (E_RNA)
where:
Base-Base interactions energy: -86.307
where: short stacking energy: -47.250
Base-Backbone interact. energy: -0.473
local terms energy: -53.169366
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -136.182403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.182403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.182403 (E_RNA)
where:
Base-Base interactions energy: -94.006
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.170
local terms energy: -42.006818
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -5.597
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -89.390331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.390331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.390331 (E_RNA)
where:
Base-Base interactions energy: -39.898
where: short stacking energy: -39.898
Base-Backbone interact. energy: -0.098
local terms energy: -49.394362
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -2.873
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: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.814088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814088 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -33.278
Base-Backbone interact. energy: -0.586
local terms energy: -47.950478
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -76.451701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.451701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.451701 (E_RNA)
where:
Base-Base interactions energy: -31.586
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.056
local terms energy: -44.809792
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -228.924481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.924481 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.394
local terms energy: -76.305071
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -16.874
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -196.385654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.385654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.385654 (E_RNA)
where:
Base-Base interactions energy: -129.323
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.653
local terms energy: -66.409793
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -221.361295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.361295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.361295 (E_RNA)
where:
Base-Base interactions energy: -149.980
where: short stacking energy: -57.008
Base-Backbone interact. energy: -0.313
local terms energy: -71.069116
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -217.259471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.259471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.259471 (E_RNA)
where:
Base-Base interactions energy: -143.385
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.003
local terms energy: -73.871302
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -20.594
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: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -177.487860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.487860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.487860 (E_RNA)
where:
Base-Base interactions energy: -111.369
where: short stacking energy: -48.808
Base-Backbone interact. energy: -0.053
local terms energy: -66.065951
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -17.006
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -189.808306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.808306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.808306 (E_RNA)
where:
Base-Base interactions energy: -126.977
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.064
local terms energy: -62.767177
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -92.826697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826697 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -28.250
Base-Backbone interact. energy: -0.088
local terms energy: -61.955732
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.612
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: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -83.910426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910426 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -21.473
Base-Backbone interact. energy: -0.297
local terms energy: -49.489994
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -1.825
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -79.055508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.055508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.055508 (E_RNA)
where:
Base-Base interactions energy: -28.449
where: short stacking energy: -27.039
Base-Backbone interact. energy: 0.284
local terms energy: -50.890606
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -9.261
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -77.505465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.505465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.505465 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.085
local terms energy: -45.917594
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -224.810742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.810742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.810742 (E_RNA)
where:
Base-Base interactions energy: -147.428
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.304
local terms energy: -77.078785
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -215.414451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.414451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.414451 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.072
local terms energy: -81.001554
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -22.192
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: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -222.762298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.762298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762298 (E_RNA)
where:
Base-Base interactions energy: -148.599
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.165
local terms energy: -73.998890
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.916
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: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -210.039894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.039894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.039894 (E_RNA)
where:
Base-Base interactions energy: -132.612
where: short stacking energy: -66.959
Base-Backbone interact. energy: -0.568
local terms energy: -76.859954
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -19.517
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: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -181.551209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.551209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.551209 (E_RNA)
where:
Base-Base interactions energy: -112.343
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.002
local terms energy: -69.206808
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -184.905110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.905110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.905110 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -51.692
Base-Backbone interact. energy: -1.518
local terms energy: -59.624081
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -98.758147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.758147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.758147 (E_RNA)
where:
Base-Base interactions energy: -50.178
where: short stacking energy: -31.103
Base-Backbone interact. energy: 0.102
local terms energy: -48.682774
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -81.724491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.724491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.724491 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.082
local terms energy: -52.607179
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.455544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.455544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.455544 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.423
local terms energy: -46.357650
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.726718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.726718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.726718 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.028
local terms energy: -47.666555
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -231.494066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.494066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.494066 (E_RNA)
where:
Base-Base interactions energy: -159.077
where: short stacking energy: -73.032
Base-Backbone interact. energy: -0.938
local terms energy: -71.479521
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -219.671452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671452 (E_RNA)
where:
Base-Base interactions energy: -147.063
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.125
local terms energy: -72.484165
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -12.643
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: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -195.802357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.802357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.802357 (E_RNA)
where:
Base-Base interactions energy: -125.324
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.092
local terms energy: -70.386648
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -208.728682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.728682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.728682 (E_RNA)
where:
Base-Base interactions energy: -133.273
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.314
local terms energy: -75.141757
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -179.270094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.270094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.270094 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.007
local terms energy: -66.369484
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -168.232142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.232142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232142 (E_RNA)
where:
Base-Base interactions energy: -109.133
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.600
local terms energy: -58.499743
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -93.394527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.394527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.394527 (E_RNA)
where:
Base-Base interactions energy: -37.808
where: short stacking energy: -34.105
Base-Backbone interact. energy: -0.496
local terms energy: -55.091402
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -84.476575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476575 (E_RNA)
where:
Base-Base interactions energy: -35.360
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.033
local terms energy: -49.083133
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -87.633867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.633867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.633867 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -25.970
Base-Backbone interact. energy: -1.126
local terms energy: -47.551132
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -85.564434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564434 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -29.829
Base-Backbone interact. energy: 0.608
local terms energy: -56.343885
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -212.040139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.040139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.040139 (E_RNA)
where:
Base-Base interactions energy: -144.860
where: short stacking energy: -64.179
Base-Backbone interact. energy: 1.320
local terms energy: -68.500025
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.356
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: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -228.751487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.751487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.751487 (E_RNA)
where:
Base-Base interactions energy: -152.881
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.107
local terms energy: -75.762936
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -212.948476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948476 (E_RNA)
where:
Base-Base interactions energy: -139.378
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.359
local terms energy: -73.211417
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -191.676388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.676388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.676388 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.177
local terms energy: -69.733239
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -185.583286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.583286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.583286 (E_RNA)
where:
Base-Base interactions energy: -115.259
where: short stacking energy: -61.214
Base-Backbone interact. energy: 0.299
local terms energy: -70.623384
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -167.888564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.888564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.888564 (E_RNA)
where:
Base-Base interactions energy: -105.359
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.130
local terms energy: -62.400033
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -12.294
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: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -94.122399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.122399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.122399 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.041
local terms energy: -58.752444
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -9.355
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: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -86.401975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.401975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.401975 (E_RNA)
where:
Base-Base interactions energy: -42.339
where: short stacking energy: -35.673
Base-Backbone interact. energy: -0.628
local terms energy: -43.434995
where:
bonds (distance) C4'-P energy: -6.906
bonds (distance) P-C4' energy: -7.198
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.100
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: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -81.398069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398069 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.129
local terms energy: -48.523270
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -77.164009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.164009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.164009 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -29.142
Base-Backbone interact. energy: -0.095
local terms energy: -47.926405
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -220.709671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.709671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.709671 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.497
local terms energy: -72.327843
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -228.288610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288610 (E_RNA)
where:
Base-Base interactions energy: -158.704
where: short stacking energy: -67.780
Base-Backbone interact. energy: 0.052
local terms energy: -69.637023
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -213.453676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.453676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.453676 (E_RNA)
where:
Base-Base interactions energy: -138.006
where: short stacking energy: -74.334
Base-Backbone interact. energy: -0.039
local terms energy: -75.408214
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -23.783
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -208.986913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.986913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.986913 (E_RNA)
where:
Base-Base interactions energy: -137.920
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.008
local terms energy: -71.058695
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -153.720047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.720047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.720047 (E_RNA)
where:
Base-Base interactions energy: -95.414
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.224
local terms energy: -58.082395
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -188.482872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.482872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.482872 (E_RNA)
where:
Base-Base interactions energy: -114.771
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.057
local terms energy: -73.655041
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -100.567953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.567953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.567953 (E_RNA)
where:
Base-Base interactions energy: -50.584
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.875
local terms energy: -49.109276
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -5.411
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -93.645044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.645044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.645044 (E_RNA)
where:
Base-Base interactions energy: -46.382
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.182
local terms energy: -47.080677
where:
bonds (distance) C4'-P energy: -5.525
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -84.612903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612903 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.462
local terms energy: -48.852606
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -1.871
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: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -76.999965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.999965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.999965 (E_RNA)
where:
Base-Base interactions energy: -29.111
where: short stacking energy: -17.432
Base-Backbone interact. energy: -0.753
local terms energy: -47.135404
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -227.546866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.546866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.546866 (E_RNA)
where:
Base-Base interactions energy: -157.888
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.448
local terms energy: -69.210584
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.927629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.927629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.927629 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.133
local terms energy: -76.908504
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -17.293
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: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -201.401348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.401348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.401348 (E_RNA)
where:
Base-Base interactions energy: -135.376
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.074
local terms energy: -65.951412
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.672
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -209.137882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.137882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137882 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.002
local terms energy: -71.987340
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -163.782880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.782880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.782880 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -44.516
Base-Backbone interact. energy: 0.523
local terms energy: -61.150380
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -195.866337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.866337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.866337 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.003
local terms energy: -69.354857
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -86.496612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.496612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.496612 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.096
local terms energy: -56.872132
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -117.769960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.769960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.769960 (E_RNA)
where:
Base-Base interactions energy: -67.004
where: short stacking energy: -36.455
Base-Backbone interact. energy: 0.348
local terms energy: -51.114056
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.737630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737630 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.293
local terms energy: -54.114505
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -86.249903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249903 (E_RNA)
where:
Base-Base interactions energy: -36.793
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.007
local terms energy: -49.449851
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -5.912
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: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -228.669116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.669116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.669116 (E_RNA)
where:
Base-Base interactions energy: -151.508
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.843
local terms energy: -76.318536
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -18.729
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: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -215.201953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.201953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.201953 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.213
local terms energy: -66.326863
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -216.771739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771739 (E_RNA)
where:
Base-Base interactions energy: -143.932
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.169
local terms energy: -72.671170
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -220.138805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.138805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.138805 (E_RNA)
where:
Base-Base interactions energy: -143.058
where: short stacking energy: -73.916
Base-Backbone interact. energy: -0.004
local terms energy: -77.077422
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.269
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: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -168.919112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.919112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.919112 (E_RNA)
where:
Base-Base interactions energy: -104.105
where: short stacking energy: -52.834
Base-Backbone interact. energy: 1.591
local terms energy: -66.404793
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -150.435170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.435170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.435170 (E_RNA)
where:
Base-Base interactions energy: -94.067
where: short stacking energy: -43.281
Base-Backbone interact. energy: -0.099
local terms energy: -56.269658
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.496
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: 417
Temperature: 1.200000
Total energy: -95.077462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.077462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.077462 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -31.823
Base-Backbone interact. energy: -0.607
local terms energy: -60.640588
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.886
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: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -108.251796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.251796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.251796 (E_RNA)
where:
Base-Base interactions energy: -49.394
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.059
local terms energy: -58.799337
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -90.692463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692463 (E_RNA)
where:
Base-Base interactions energy: -41.636
where: short stacking energy: -25.954
Base-Backbone interact. energy: -0.101
local terms energy: -48.955101
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -0.140
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.978924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978924 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -25.767
Base-Backbone interact. energy: 0.997
local terms energy: -42.346585
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: 3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -226.493463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.493463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.493463 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.999
local terms energy: -71.521868
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -208.580773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.580773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.580773 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.090
local terms energy: -73.497710
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -16.762
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -220.047109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.047109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.047109 (E_RNA)
where:
Base-Base interactions energy: -141.993
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.103
local terms energy: -77.951845
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -212.388002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.388002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.388002 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.722
local terms energy: -73.912956
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -158.002599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.002599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.002599 (E_RNA)
where:
Base-Base interactions energy: -106.042
where: short stacking energy: -47.778
Base-Backbone interact. energy: 0.101
local terms energy: -52.061418
where:
bonds (distance) C4'-P energy: -6.839
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -178.071714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.071714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.071714 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.706
local terms energy: -59.283504
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -90.331196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331196 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.432
local terms energy: -50.200312
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -89.462895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462895 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -32.995
Base-Backbone interact. energy: -0.139
local terms energy: -56.329064
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -6.682
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.822005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.822005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.822005 (E_RNA)
where:
Base-Base interactions energy: -42.696
where: short stacking energy: -36.881
Base-Backbone interact. energy: -0.159
local terms energy: -43.967885
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -3.147
flat angles P-C4'-P energy: -9.080
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -95.494134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494134 (E_RNA)
where:
Base-Base interactions energy: -62.622
where: short stacking energy: -32.215
Base-Backbone interact. energy: -1.855
local terms energy: -31.017633
where:
bonds (distance) C4'-P energy: -4.436
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: 3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -225.300128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300128 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.323
local terms energy: -75.167147
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -216.798418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.798418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.798418 (E_RNA)
where:
Base-Base interactions energy: -148.454
where: short stacking energy: -66.605
Base-Backbone interact. energy: 0.302
local terms energy: -68.646288
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -206.000578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.000578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.000578 (E_RNA)
where:
Base-Base interactions energy: -142.382
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.157
local terms energy: -63.460638
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -13.491
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: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -198.854996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854996 (E_RNA)
where:
Base-Base interactions energy: -128.881
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.259
local terms energy: -69.714885
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -165.017504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.017504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.017504 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.942
local terms energy: -55.560156
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -182.077018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.077018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.077018 (E_RNA)
where:
Base-Base interactions energy: -126.172
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.450
local terms energy: -55.455262
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -8.938
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -105.828111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.828111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.828111 (E_RNA)
where:
Base-Base interactions energy: -53.163
where: short stacking energy: -39.935
Base-Backbone interact. energy: -0.639
local terms energy: -52.026543
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -81.555768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555768 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -27.143
Base-Backbone interact. energy: -0.139
local terms energy: -50.970049
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -85.443396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.443396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.443396 (E_RNA)
where:
Base-Base interactions energy: -39.696
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.887
local terms energy: -44.860480
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.469123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.469123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.469123 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.684
local terms energy: -47.842545
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -6.577
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: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -224.133608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.133608 (E_RNA)
where:
Base-Base interactions energy: -152.063
where: short stacking energy: -67.586
Base-Backbone interact. energy: -0.181
local terms energy: -71.889010
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -235.979452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.979452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.979452 (E_RNA)
where:
Base-Base interactions energy: -168.267
where: short stacking energy: -66.193
Base-Backbone interact. energy: -0.311
local terms energy: -67.401274
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -205.207742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.207742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.207742 (E_RNA)
where:
Base-Base interactions energy: -136.710
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.276
local terms energy: -68.221045
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -16.313
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -194.301556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.301556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.301556 (E_RNA)
where:
Base-Base interactions energy: -129.118
where: short stacking energy: -49.634
Base-Backbone interact. energy: 1.043
local terms energy: -66.227049
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -173.039940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.039940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.039940 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -42.839
Base-Backbone interact. energy: -1.144
local terms energy: -55.800337
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -182.820842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.820842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.820842 (E_RNA)
where:
Base-Base interactions energy: -120.766
where: short stacking energy: -47.757
Base-Backbone interact. energy: -1.445
local terms energy: -60.609487
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -89.584330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.584330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.584330 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -29.369
Base-Backbone interact. energy: -2.070
local terms energy: -55.227378
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -82.174102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.174102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.174102 (E_RNA)
where:
Base-Base interactions energy: -32.851
where: short stacking energy: -25.877
Base-Backbone interact. energy: -0.010
local terms energy: -49.312894
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: 0.329
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: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -96.062587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.062587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.062587 (E_RNA)
where:
Base-Base interactions energy: -52.971
where: short stacking energy: -23.421
Base-Backbone interact. energy: -0.286
local terms energy: -42.805525
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -8.598
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: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -85.355915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.355915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.355915 (E_RNA)
where:
Base-Base interactions energy: -37.648
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.107
local terms energy: -47.600274
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -219.635192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635192 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.052
local terms energy: -72.269999
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -9.349
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -213.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.963347 (E_RNA)
where:
Base-Base interactions energy: -142.082
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.004
local terms energy: -71.876645
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -220.381230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.381230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.381230 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.407
local terms energy: -68.365483
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.176
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: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -200.017800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.017800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.017800 (E_RNA)
where:
Base-Base interactions energy: -139.703
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.913
local terms energy: -59.401454
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -188.888607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.888607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.888607 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -57.859
Base-Backbone interact. energy: 2.102
local terms energy: -64.497724
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -14.234
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: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -188.143811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.143811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.143811 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -46.595
Base-Backbone interact. energy: 2.446
local terms energy: -65.484468
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -8.398
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: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -106.719215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.719215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.719215 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.431
local terms energy: -56.303977
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.900
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: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -106.188863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.188863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.188863 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -34.370
Base-Backbone interact. energy: 0.513
local terms energy: -54.469246
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -5.568
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: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -89.173723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.173723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.173723 (E_RNA)
where:
Base-Base interactions energy: -27.822
where: short stacking energy: -27.822
Base-Backbone interact. energy: -0.051
local terms energy: -61.300583
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -8.635
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: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -77.241719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241719 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.156
local terms energy: -44.914998
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -230.878262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.878262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.878262 (E_RNA)
where:
Base-Base interactions energy: -152.076
where: short stacking energy: -69.351
Base-Backbone interact. energy: -0.000
local terms energy: -78.802034
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -225.188929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.188929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.188929 (E_RNA)
where:
Base-Base interactions energy: -161.531
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.208
local terms energy: -63.450066
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -203.990309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.990309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.990309 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.120
local terms energy: -72.532917
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -219.156622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.156622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.156622 (E_RNA)
where:
Base-Base interactions energy: -146.455
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.076
local terms energy: -72.625565
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -19.834
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -196.869929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.869929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.869929 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -50.030
Base-Backbone interact. energy: -0.712
local terms energy: -66.335211
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -180.454347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454347 (E_RNA)
where:
Base-Base interactions energy: -110.556
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.034
local terms energy: -69.864087
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -111.550098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.550098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.550098 (E_RNA)
where:
Base-Base interactions energy: -52.150
where: short stacking energy: -46.718
Base-Backbone interact. energy: -0.002
local terms energy: -59.397353
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -11.764
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: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -85.956341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.956341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.956341 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -24.905
Base-Backbone interact. energy: 0.101
local terms energy: -47.408704
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -81.033536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.033536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.033536 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -28.304
Base-Backbone interact. energy: -0.788
local terms energy: -54.341809
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -12.092
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: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -73.716190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.716190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.716190 (E_RNA)
where:
Base-Base interactions energy: -26.185
where: short stacking energy: -20.267
Base-Backbone interact. energy: -0.306
local terms energy: -47.225041
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -5.213
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: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -226.827536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827536 (E_RNA)
where:
Base-Base interactions energy: -149.494
where: short stacking energy: -73.149
Base-Backbone interact. energy: -0.071
local terms energy: -77.263044
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -202.019490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019490 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.862
local terms energy: -74.009710
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -19.998
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -210.669170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669170 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -62.044
Base-Backbone interact. energy: -0.748
local terms energy: -63.509380
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -15.567
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: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -198.866829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.866829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866829 (E_RNA)
where:
Base-Base interactions energy: -140.006
where: short stacking energy: -54.364
Base-Backbone interact. energy: -0.211
local terms energy: -58.649848
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -220.185655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.185655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.185655 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.428
local terms energy: -72.284904
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.667
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: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -179.262909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.262909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.262909 (E_RNA)
where:
Base-Base interactions energy: -114.867
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.064
local terms energy: -64.331741
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.211
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -103.206610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.206610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.206610 (E_RNA)
where:
Base-Base interactions energy: -51.100
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.489
local terms energy: -51.617650
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -82.472577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472577 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -36.016
Base-Backbone interact. energy: 0.308
local terms energy: -46.122591
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -9.176
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -119.440663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.440663 (E_RNA)
where:
Base-Base interactions energy: -59.249
where: short stacking energy: -37.226
Base-Backbone interact. energy: -0.219
local terms energy: -59.972470
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -7.886
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -9.732
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: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -79.260901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.260901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.260901 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.011
local terms energy: -45.616188
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -1.393
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -213.259886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259886 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.439
local terms energy: -73.026313
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -220.958536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.958536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.958536 (E_RNA)
where:
Base-Base interactions energy: -142.182
where: short stacking energy: -74.333
Base-Backbone interact. energy: -1.104
local terms energy: -77.672742
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -12.122
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: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -219.546012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.546012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.546012 (E_RNA)
where:
Base-Base interactions energy: -147.010
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.293
local terms energy: -72.243727
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -211.631624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.631624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.631624 (E_RNA)
where:
Base-Base interactions energy: -140.621
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.205
local terms energy: -70.805507
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -17.103
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: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -208.018715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.018715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.018715 (E_RNA)
where:
Base-Base interactions energy: -141.269
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.322
local terms energy: -66.428031
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -161.518850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.518850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.518850 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.181
local terms energy: -53.568818
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -94.976773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.976773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.976773 (E_RNA)
where:
Base-Base interactions energy: -40.543
where: short stacking energy: -40.501
Base-Backbone interact. energy: -0.014
local terms energy: -54.419746
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -9.101
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: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.849168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849168 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.058
local terms energy: -48.913672
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -95.513383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513383 (E_RNA)
where:
Base-Base interactions energy: -40.896
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.448
local terms energy: -54.169151
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -75.885325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.885325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.885325 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -21.014
Base-Backbone interact. energy: -0.126
local terms energy: -42.991778
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -220.980497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.980497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.980497 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.003
local terms energy: -76.472785
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -221.953592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.953592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.953592 (E_RNA)
where:
Base-Base interactions energy: -156.193
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.185
local terms energy: -65.575344
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -199.045120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.045120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.045120 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -65.269
Base-Backbone interact. energy: -0.002
local terms energy: -65.869366
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -6.651
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -215.905843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.905843 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -66.696
Base-Backbone interact. energy: -0.538
local terms energy: -70.349412
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -19.822
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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -196.945128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945128 (E_RNA)
where:
Base-Base interactions energy: -128.034
where: short stacking energy: -67.482
Base-Backbone interact. energy: -0.170
local terms energy: -68.741298
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -96.148597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148597 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.355
local terms energy: -60.526722
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -175.231854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.231854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.231854 (E_RNA)
where:
Base-Base interactions energy: -107.996
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.525
local terms energy: -66.711411
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -15.014
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -86.630660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630660 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.357
local terms energy: -48.621299
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -81.244445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.244445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.244445 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.057
local terms energy: -46.576284
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -84.325063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325063 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.437
local terms energy: -51.995113
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -5.765
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -228.932507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.932507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.932507 (E_RNA)
where:
Base-Base interactions energy: -154.293
where: short stacking energy: -70.787
Base-Backbone interact. energy: 0.022
local terms energy: -74.661971
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -10.831
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: 426
Temperature: 0.950000
Total energy: -208.697279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.697279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.697279 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.001
local terms energy: -78.873196
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -215.707442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.707442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.707442 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.195
local terms energy: -61.384964
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -191.868923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.868923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.868923 (E_RNA)
where:
Base-Base interactions energy: -116.512
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.011
local terms energy: -75.346680
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -185.777031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.777031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.777031 (E_RNA)
where:
Base-Base interactions energy: -115.984
where: short stacking energy: -63.830
Base-Backbone interact. energy: 0.470
local terms energy: -70.263525
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -102.439462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.439462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.439462 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -40.288
Base-Backbone interact. energy: -0.063
local terms energy: -60.109170
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -149.346243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.346243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.346243 (E_RNA)
where:
Base-Base interactions energy: -90.787
where: short stacking energy: -47.257
Base-Backbone interact. energy: 0.638
local terms energy: -59.197929
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -106.140679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.140679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.140679 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -42.540
Base-Backbone interact. energy: -0.162
local terms energy: -60.696772
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -93.984138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.984138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.984138 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -37.658
Base-Backbone interact. energy: -0.042
local terms energy: -55.097437
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -5.165
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: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -81.562899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.562899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.562899 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.030
local terms energy: -48.743663
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -4.084
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: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -221.892834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.892834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.892834 (E_RNA)
where:
Base-Base interactions energy: -149.032
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.316
local terms energy: -72.545109
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -13.577
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: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -220.213096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.213096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.213096 (E_RNA)
where:
Base-Base interactions energy: -149.650
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.304
local terms energy: -70.258427
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -202.083143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.083143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.083143 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.132
local terms energy: -78.551154
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -197.453849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.453849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.453849 (E_RNA)
where:
Base-Base interactions energy: -121.853
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.003
local terms energy: -75.597640
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -179.320361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.320361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.320361 (E_RNA)
where:
Base-Base interactions energy: -116.771
where: short stacking energy: -52.733
Base-Backbone interact. energy: -0.043
local terms energy: -62.507037
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -168.567463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.567463 (E_RNA)
where:
Base-Base interactions energy: -107.236
where: short stacking energy: -47.996
Base-Backbone interact. energy: -0.647
local terms energy: -60.684724
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -12.121
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: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -94.060565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.060565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.060565 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -40.370
Base-Backbone interact. energy: -0.123
local terms energy: -53.175027
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -11.195
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: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -84.620922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.620922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.620922 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.143
local terms energy: -51.933076
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.880477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.880477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.880477 (E_RNA)
where:
Base-Base interactions energy: -24.676
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.582
local terms energy: -55.622195
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.510128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.510128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.510128 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -20.775
Base-Backbone interact. energy: 0.366
local terms energy: -40.061163
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.742
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: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -229.029322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.029322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.029322 (E_RNA)
where:
Base-Base interactions energy: -154.448
where: short stacking energy: -63.386
Base-Backbone interact. energy: 0.132
local terms energy: -74.714215
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -228.322298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.322298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.322298 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.244
local terms energy: -77.723811
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -18.596
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: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -213.466019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.466019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.466019 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -70.263
Base-Backbone interact. energy: 1.338
local terms energy: -71.188546
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -186.485356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.485356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.485356 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -53.751
Base-Backbone interact. energy: -0.390
local terms energy: -55.480391
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -175.472517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.472517 (E_RNA)
where:
Base-Base interactions energy: -110.463
where: short stacking energy: -48.817
Base-Backbone interact. energy: 0.770
local terms energy: -65.779317
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -186.544171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.544171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.544171 (E_RNA)
where:
Base-Base interactions energy: -121.335
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.091
local terms energy: -65.117385
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -17.859
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -103.093968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.093968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.093968 (E_RNA)
where:
Base-Base interactions energy: -39.967
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.059
local terms energy: -63.068360
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -90.478349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478349 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.019
local terms energy: -49.388156
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -88.324926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.324926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.324926 (E_RNA)
where:
Base-Base interactions energy: -28.295
where: short stacking energy: -30.695
Base-Backbone interact. energy: -0.081
local terms energy: -59.949781
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -5.918
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -86.046989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046989 (E_RNA)
where:
Base-Base interactions energy: -34.090
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.119
local terms energy: -51.837762
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -231.505513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.505513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.505513 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.665
local terms energy: -69.019221
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -215.091549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091549 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.087
local terms energy: -74.012928
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -224.037137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.037137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.037137 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -67.986
Base-Backbone interact. energy: -0.357
local terms energy: -68.897552
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -188.787367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.787367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787367 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.041
local terms energy: -71.397079
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -179.442424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.442424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.442424 (E_RNA)
where:
Base-Base interactions energy: -112.859
where: short stacking energy: -49.321
Base-Backbone interact. energy: -0.006
local terms energy: -66.577155
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -173.979491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979491 (E_RNA)
where:
Base-Base interactions energy: -117.897
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.115
local terms energy: -55.967772
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -98.233745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.233745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.233745 (E_RNA)
where:
Base-Base interactions energy: -53.175
where: short stacking energy: -28.229
Base-Backbone interact. energy: 2.093
local terms energy: -47.152059
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -88.780390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.780390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.780390 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -24.883
Base-Backbone interact. energy: -1.113
local terms energy: -51.780106
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.515
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -88.674581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.674581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.674581 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -36.187
Base-Backbone interact. energy: 0.272
local terms energy: -54.259184
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -90.102461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.102461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.102461 (E_RNA)
where:
Base-Base interactions energy: -33.466
where: short stacking energy: -33.466
Base-Backbone interact. energy: -0.119
local terms energy: -56.517386
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -226.904901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.904901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.904901 (E_RNA)
where:
Base-Base interactions energy: -146.831
where: short stacking energy: -75.334
Base-Backbone interact. energy: -0.156
local terms energy: -79.917799
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -223.930681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.930681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.930681 (E_RNA)
where:
Base-Base interactions energy: -155.242
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.308
local terms energy: -68.380212
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -220.220027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.220027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.220027 (E_RNA)
where:
Base-Base interactions energy: -141.976
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.496
local terms energy: -77.748316
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -181.142189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.142189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.142189 (E_RNA)
where:
Base-Base interactions energy: -114.082
where: short stacking energy: -46.580
Base-Backbone interact. energy: -0.869
local terms energy: -66.191019
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -11.414
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: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -182.660380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660380 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -60.096
Base-Backbone interact. energy: -0.078
local terms energy: -64.152175
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -156.727333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.727333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.727333 (E_RNA)
where:
Base-Base interactions energy: -93.662
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.044
local terms energy: -63.021393
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -12.344
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -103.219908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219908 (E_RNA)
where:
Base-Base interactions energy: -56.727
where: short stacking energy: -41.634
Base-Backbone interact. energy: 0.364
local terms energy: -46.857067
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -9.350
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: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -78.877362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.877362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.877362 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.012
local terms energy: -46.349730
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: -9.574
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: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -84.687195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687195 (E_RNA)
where:
Base-Base interactions energy: -39.201
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.383
local terms energy: -45.102987
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -7.676
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -80.222213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.222213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.222213 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -26.477
Base-Backbone interact. energy: 0.334
local terms energy: -46.076609
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -8.468
flat angles P-C4'-P energy: -9.263
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -229.696429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.696429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.696429 (E_RNA)
where:
Base-Base interactions energy: -142.233
where: short stacking energy: -81.389
Base-Backbone interact. energy: -1.114
local terms energy: -86.349613
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -223.159393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.159393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.159393 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.426
local terms energy: -75.940142
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -222.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.383694 (E_RNA)
where:
Base-Base interactions energy: -149.482
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.164
local terms energy: -72.737556
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -198.461736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.461736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.461736 (E_RNA)
where:
Base-Base interactions energy: -137.779
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.124
local terms energy: -60.558746
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -179.848491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.848491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.848491 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.036
local terms energy: -69.407494
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -163.919618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.919618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.919618 (E_RNA)
where:
Base-Base interactions energy: -99.488
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.315
local terms energy: -64.116387
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -7.772
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: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -148.670725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.670725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.670725 (E_RNA)
where:
Base-Base interactions energy: -85.543
where: short stacking energy: -42.513
Base-Backbone interact. energy: -0.035
local terms energy: -63.092434
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -12.436
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: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -90.675952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.675952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.675952 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -33.292
Base-Backbone interact. energy: -0.079
local terms energy: -54.547582
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -87.041603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041603 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.257
local terms energy: -40.053180
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -4.469
flat angles P-C4'-P energy: -7.796
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: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -74.316637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.316637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.316637 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -26.428
Base-Backbone interact. energy: -0.121
local terms energy: -47.767967
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -2.349
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -228.753468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.753468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.753468 (E_RNA)
where:
Base-Base interactions energy: -155.673
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.258
local terms energy: -72.823079
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -15.877
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -225.460444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.460444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.460444 (E_RNA)
where:
Base-Base interactions energy: -145.132
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.038
local terms energy: -80.290300
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -22.442
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: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -214.290581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.290581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290581 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.461
local terms energy: -70.804110
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -185.041099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.041099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.041099 (E_RNA)
where:
Base-Base interactions energy: -127.139
where: short stacking energy: -52.899
Base-Backbone interact. energy: -0.668
local terms energy: -57.233771
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -8.248
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -192.551987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551987 (E_RNA)
where:
Base-Base interactions energy: -118.823
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.016
local terms energy: -73.713161
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -170.675696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.675696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.675696 (E_RNA)
where:
Base-Base interactions energy: -114.186
where: short stacking energy: -51.061
Base-Backbone interact. energy: -1.086
local terms energy: -55.403165
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -7.290
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: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -165.310982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.310982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.310982 (E_RNA)
where:
Base-Base interactions energy: -106.123
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.155
local terms energy: -59.032996
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -93.550353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.550353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.550353 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.102
local terms energy: -61.382283
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -10.794
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: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -92.358336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358336 (E_RNA)
where:
Base-Base interactions energy: -36.027
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.642
local terms energy: -55.689311
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -0.856
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -92.475468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475468 (E_RNA)
where:
Base-Base interactions energy: -47.731
where: short stacking energy: -23.913
Base-Backbone interact. energy: -0.036
local terms energy: -44.708648
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -232.801022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.801022 (E_RNA)
where:
Base-Base interactions energy: -156.410
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.355
local terms energy: -76.036298
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -225.293830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.293830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.293830 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.208
local terms energy: -69.833391
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -217.014552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014552 (E_RNA)
where:
Base-Base interactions energy: -147.888
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.002
local terms energy: -69.124272
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -17.941
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: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -201.075890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075890 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -57.011
Base-Backbone interact. energy: -0.433
local terms energy: -74.060987
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -187.545175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.545175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.545175 (E_RNA)
where:
Base-Base interactions energy: -121.540
where: short stacking energy: -46.647
Base-Backbone interact. energy: -0.553
local terms energy: -65.453053
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -188.667337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.667337 (E_RNA)
where:
Base-Base interactions energy: -118.788
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.087
local terms energy: -69.793080
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -11.782
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -143.052331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.052331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.052331 (E_RNA)
where:
Base-Base interactions energy: -89.964
where: short stacking energy: -38.751
Base-Backbone interact. energy: -0.091
local terms energy: -52.997224
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -82.690371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690371 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.189
local terms energy: -48.340819
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.154
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: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -81.144201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.144201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.144201 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.104
local terms energy: -44.097857
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -9.230
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.393732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.393732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.393732 (E_RNA)
where:
Base-Base interactions energy: -23.849
where: short stacking energy: -22.580
Base-Backbone interact. energy: -0.062
local terms energy: -48.483092
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -0.852
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: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -228.233349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.233349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.233349 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -72.617
Base-Backbone interact. energy: -0.129
local terms energy: -78.078319
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -227.477887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.477887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.477887 (E_RNA)
where:
Base-Base interactions energy: -158.484
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.237
local terms energy: -68.757370
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.455
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: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -209.115245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.115245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.115245 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.577
local terms energy: -75.772858
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -197.945178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.945178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.945178 (E_RNA)
where:
Base-Base interactions energy: -134.731
where: short stacking energy: -57.527
Base-Backbone interact. energy: -3.066
local terms energy: -60.147788
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -13.945
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: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -188.415256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.415256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.415256 (E_RNA)
where:
Base-Base interactions energy: -123.926
where: short stacking energy: -44.945
Base-Backbone interact. energy: 1.229
local terms energy: -65.717861
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.302
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: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -193.902213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.902213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.902213 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.976
local terms energy: -76.231917
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -18.933
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: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -104.918569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918569 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -45.809
Base-Backbone interact. energy: -0.766
local terms energy: -56.078664
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.153
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: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -136.777587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.777587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.777587 (E_RNA)
where:
Base-Base interactions energy: -83.300
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.120
local terms energy: -53.357539
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -3.327
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: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -79.236919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.236919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.236919 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -29.534
Base-Backbone interact. energy: 0.241
local terms energy: -44.342906
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -6.455
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: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -78.481507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.481507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.481507 (E_RNA)
where:
Base-Base interactions energy: -17.772
where: short stacking energy: -15.042
Base-Backbone interact. energy: -0.232
local terms energy: -60.477704
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.985
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -222.892648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892648 (E_RNA)
where:
Base-Base interactions energy: -147.680
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.178
local terms energy: -75.034851
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.147
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.606275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606275 (E_RNA)
where:
Base-Base interactions energy: -150.101
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.109
local terms energy: -74.396518
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -17.935
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: 435
Temperature: 1.000000
Total energy: -217.284852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284852 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.002
local terms energy: -73.221183
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -200.969936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.969936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.969936 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.169
local terms energy: -75.931823
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -188.147653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.147653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.147653 (E_RNA)
where:
Base-Base interactions energy: -122.644
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.066
local terms energy: -65.437106
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -182.080428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.080428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.080428 (E_RNA)
where:
Base-Base interactions energy: -112.832
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.007
local terms energy: -69.241607
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -11.608
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: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -91.200695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.200695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.200695 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.262
local terms energy: -49.270542
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.283
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: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -121.226669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.226669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.226669 (E_RNA)
where:
Base-Base interactions energy: -71.473
where: short stacking energy: -34.793
Base-Backbone interact. energy: -0.666
local terms energy: -49.088500
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -4.189
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: 435
Temperature: 1.300000
Total energy: -117.288608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.288608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.288608 (E_RNA)
where:
Base-Base interactions energy: -71.838
where: short stacking energy: -34.408
Base-Backbone interact. energy: 1.279
local terms energy: -46.729616
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -2.552
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: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -82.057275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.057275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.057275 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.139
Base-Backbone interact. energy: 1.272
local terms energy: -54.190078
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -231.458376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.458376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.458376 (E_RNA)
where:
Base-Base interactions energy: -163.298
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.770
local terms energy: -67.391102
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -225.280554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.280554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.280554 (E_RNA)
where:
Base-Base interactions energy: -147.051
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.170
local terms energy: -78.059244
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.678
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: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -222.449857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.449857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.449857 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.011
local terms energy: -77.612649
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -181.916920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.916920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.916920 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -60.611
Base-Backbone interact. energy: -0.267
local terms energy: -67.054653
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.642
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: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -177.272740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.272740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.272740 (E_RNA)
where:
Base-Base interactions energy: -110.617
where: short stacking energy: -46.221
Base-Backbone interact. energy: -1.638
local terms energy: -65.017716
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -158.889847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.889847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.889847 (E_RNA)
where:
Base-Base interactions energy: -94.095
where: short stacking energy: -46.988
Base-Backbone interact. energy: -1.139
local terms energy: -63.655900
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -133.867958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.867958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.867958 (E_RNA)
where:
Base-Base interactions energy: -80.074
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.651
local terms energy: -53.142590
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.931
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: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -95.246000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.246000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.246000 (E_RNA)
where:
Base-Base interactions energy: -47.414
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.124
local terms energy: -47.707423
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -0.443
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -89.147420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147420 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -39.888
Base-Backbone interact. energy: -0.617
local terms energy: -47.829625
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -6.419
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.919
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.141830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.141830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.141830 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.192
local terms energy: -44.731674
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -230.989848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.989848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.989848 (E_RNA)
where:
Base-Base interactions energy: -157.417
where: short stacking energy: -57.515
Base-Backbone interact. energy: -0.879
local terms energy: -72.693857
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -229.211311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.211311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.211311 (E_RNA)
where:
Base-Base interactions energy: -161.091
where: short stacking energy: -66.244
Base-Backbone interact. energy: 0.002
local terms energy: -68.122760
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -212.475027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.475027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.475027 (E_RNA)
where:
Base-Base interactions energy: -139.239
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.015
local terms energy: -73.220510
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -192.515683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515683 (E_RNA)
where:
Base-Base interactions energy: -123.100
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.100
local terms energy: -69.315576
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -175.809611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809611 (E_RNA)
where:
Base-Base interactions energy: -108.761
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.098
local terms energy: -66.950892
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -9.254
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: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -126.059695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.059695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.059695 (E_RNA)
where:
Base-Base interactions energy: -71.832
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.445
local terms energy: -53.782327
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -140.556204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.556204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.556204 (E_RNA)
where:
Base-Base interactions energy: -77.846
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.224
local terms energy: -62.486386
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -87.247453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.247453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.247453 (E_RNA)
where:
Base-Base interactions energy: -37.859
where: short stacking energy: -33.426
Base-Backbone interact. energy: 1.816
local terms energy: -51.204634
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -7.180
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -105.075822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.075822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.075822 (E_RNA)
where:
Base-Base interactions energy: -47.083
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.019
local terms energy: -57.973280
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -11.111
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: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.593849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.593849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.593849 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -27.121
Base-Backbone interact. energy: 1.213
local terms energy: -51.685592
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -4.003
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: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -224.130390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.130390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.130390 (E_RNA)
where:
Base-Base interactions energy: -149.860
where: short stacking energy: -71.294
Base-Backbone interact. energy: -2.068
local terms energy: -72.201740
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -224.307912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307912 (E_RNA)
where:
Base-Base interactions energy: -144.962
where: short stacking energy: -66.201
Base-Backbone interact. energy: -0.450
local terms energy: -78.895340
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -20.856
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -197.607601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.607601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.607601 (E_RNA)
where:
Base-Base interactions energy: -121.351
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.113
local terms energy: -76.143070
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -19.270
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: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -212.649732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.649732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.649732 (E_RNA)
where:
Base-Base interactions energy: -136.086
where: short stacking energy: -65.126
Base-Backbone interact. energy: -2.591
local terms energy: -73.972638
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -170.840702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.840702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.840702 (E_RNA)
where:
Base-Base interactions energy: -107.231
where: short stacking energy: -50.021
Base-Backbone interact. energy: -1.337
local terms energy: -62.272631
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -13.262
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -171.539596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.539596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.539596 (E_RNA)
where:
Base-Base interactions energy: -107.814
where: short stacking energy: -50.043
Base-Backbone interact. energy: -0.203
local terms energy: -63.521770
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -172.916034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.916034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.916034 (E_RNA)
where:
Base-Base interactions energy: -111.514
where: short stacking energy: -55.877
Base-Backbone interact. energy: -0.007
local terms energy: -61.395355
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -9.196
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -78.627465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.627465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.627465 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.218
local terms energy: -49.158520
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.823
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: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -82.467831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.467831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.467831 (E_RNA)
where:
Base-Base interactions energy: -27.527
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.187
local terms energy: -54.754001
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -8.807
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.157126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.157126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.157126 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.190
local terms energy: -44.727718
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -230.020855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.020855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020855 (E_RNA)
where:
Base-Base interactions energy: -152.847
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.329
local terms energy: -76.845451
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -198.331307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.331307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.331307 (E_RNA)
where:
Base-Base interactions energy: -118.698
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.780
local terms energy: -78.853627
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -212.409999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.409999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.409999 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.623
local terms energy: -68.666383
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -205.155959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.155959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.155959 (E_RNA)
where:
Base-Base interactions energy: -137.105
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.607
local terms energy: -67.444085
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -186.765635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.765635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.765635 (E_RNA)
where:
Base-Base interactions energy: -123.452
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.124
local terms energy: -63.189679
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -179.125975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.125975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.125975 (E_RNA)
where:
Base-Base interactions energy: -117.310
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.242
local terms energy: -61.573895
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -161.218940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.218940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.218940 (E_RNA)
where:
Base-Base interactions energy: -107.151
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.119
local terms energy: -53.948945
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -95.626085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626085 (E_RNA)
where:
Base-Base interactions energy: -40.792
where: short stacking energy: -39.331
Base-Backbone interact. energy: -0.001
local terms energy: -54.833646
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -8.400
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: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -92.524060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.524060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.524060 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -27.569
Base-Backbone interact. energy: 0.200
local terms energy: -61.993012
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -12.069
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.168074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.168074 (E_RNA)
where:
Base-Base interactions energy: -25.061
where: short stacking energy: -24.226
Base-Backbone interact. energy: -0.163
local terms energy: -48.944218
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -231.359013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.359013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.359013 (E_RNA)
where:
Base-Base interactions energy: -156.246
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.594
local terms energy: -74.518590
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -208.129683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.129683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.129683 (E_RNA)
where:
Base-Base interactions energy: -129.581
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.007
local terms energy: -78.541864
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -21.976
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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -216.987442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.987442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.987442 (E_RNA)
where:
Base-Base interactions energy: -143.353
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.212
local terms energy: -73.421753
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -198.302710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.302710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.302710 (E_RNA)
where:
Base-Base interactions energy: -125.028
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.158
local terms energy: -73.116984
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -183.152218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152218 (E_RNA)
where:
Base-Base interactions energy: -114.681
where: short stacking energy: -56.587
Base-Backbone interact. energy: 0.816
local terms energy: -69.288138
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -10.860
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: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -183.948356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.948356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.948356 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.015
local terms energy: -66.220874
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -170.724428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724428 (E_RNA)
where:
Base-Base interactions energy: -113.276
where: short stacking energy: -46.620
Base-Backbone interact. energy: -0.104
local terms energy: -57.344434
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.511
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: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -84.144957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144957 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -28.708
Base-Backbone interact. energy: 0.418
local terms energy: -49.733983
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -9.069
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: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -79.163909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.163909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.163909 (E_RNA)
where:
Base-Base interactions energy: -29.342
where: short stacking energy: -29.130
Base-Backbone interact. energy: -0.643
local terms energy: -49.179617
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -83.282233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.282233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.282233 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.160
local terms energy: -51.197793
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -226.086760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.086760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.086760 (E_RNA)
where:
Base-Base interactions energy: -151.213
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.437
local terms energy: -74.436589
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -219.940479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.940479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.940479 (E_RNA)
where:
Base-Base interactions energy: -145.347
where: short stacking energy: -58.380
Base-Backbone interact. energy: 0.919
local terms energy: -75.512432
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -205.833637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.833637 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.143
local terms energy: -70.206806
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -194.553491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.553491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.553491 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.233
local terms energy: -75.076501
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -200.628744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.628744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.628744 (E_RNA)
where:
Base-Base interactions energy: -129.400
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.021
local terms energy: -71.207773
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -177.691352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.691352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.691352 (E_RNA)
where:
Base-Base interactions energy: -109.877
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.821
local terms energy: -66.994190
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -16.203
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: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -164.530267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.530267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.530267 (E_RNA)
where:
Base-Base interactions energy: -110.776
where: short stacking energy: -51.902
Base-Backbone interact. energy: -0.019
local terms energy: -53.735556
where:
bonds (distance) C4'-P energy: -7.155
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -8.521
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -94.985565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.985565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.985565 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -41.518
Base-Backbone interact. energy: 0.127
local terms energy: -53.282027
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -93.099599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099599 (E_RNA)
where:
Base-Base interactions energy: -49.524
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.586
local terms energy: -42.990145
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 5.227
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: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -77.467237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467237 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -30.477
Base-Backbone interact. energy: -0.155
local terms energy: -44.671955
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -233.085265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.085265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.085265 (E_RNA)
where:
Base-Base interactions energy: -165.157
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.294
local terms energy: -67.634182
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -227.449729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.449729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.449729 (E_RNA)
where:
Base-Base interactions energy: -149.802
where: short stacking energy: -61.514
Base-Backbone interact. energy: 0.708
local terms energy: -78.356128
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -191.356418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.356418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.356418 (E_RNA)
where:
Base-Base interactions energy: -119.595
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.009
local terms energy: -71.752316
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -193.933639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.933639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.933639 (E_RNA)
where:
Base-Base interactions energy: -123.716
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.560
local terms energy: -69.657916
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -11.580
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: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -184.632540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.632540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.632540 (E_RNA)
where:
Base-Base interactions energy: -114.961
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.026
local terms energy: -69.646206
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -201.874509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.874509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.874509 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.021
local terms energy: -67.676658
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -97.789394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.789394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.789394 (E_RNA)
where:
Base-Base interactions energy: -44.317
where: short stacking energy: -33.833
Base-Backbone interact. energy: -0.185
local terms energy: -53.287640
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -0.786
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -143.116718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.116718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.116718 (E_RNA)
where:
Base-Base interactions energy: -81.176
where: short stacking energy: -41.487
Base-Backbone interact. energy: -1.077
local terms energy: -60.864337
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -94.527266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527266 (E_RNA)
where:
Base-Base interactions energy: -44.436
where: short stacking energy: -34.522
Base-Backbone interact. energy: 2.022
local terms energy: -52.113338
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -8.135
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: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -73.709976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.709976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.709976 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.183
local terms energy: -40.328828
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -3.031
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: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -216.165038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.165038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.165038 (E_RNA)
where:
Base-Base interactions energy: -139.161
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.861
local terms energy: -76.142260
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -219.347244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.347244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.347244 (E_RNA)
where:
Base-Base interactions energy: -157.695
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.347
local terms energy: -61.304375
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -194.410334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.410334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.410334 (E_RNA)
where:
Base-Base interactions energy: -124.358
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.001
local terms energy: -70.051281
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -10.511
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: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -182.728746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.728746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.728746 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.261
local terms energy: -57.553742
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -198.715225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.715225 (E_RNA)
where:
Base-Base interactions energy: -127.748
where: short stacking energy: -62.530
Base-Backbone interact. energy: -0.383
local terms energy: -70.584861
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -193.812247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.812247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.812247 (E_RNA)
where:
Base-Base interactions energy: -127.782
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.454
local terms energy: -65.576698
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -94.045858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.045858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.045858 (E_RNA)
where:
Base-Base interactions energy: -37.238
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.502
local terms energy: -56.305608
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -7.024
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: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -96.315726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315726 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -43.526
Base-Backbone interact. energy: 0.246
local terms energy: -53.011304
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -140.366715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.366715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.366715 (E_RNA)
where:
Base-Base interactions energy: -86.334
where: short stacking energy: -43.072
Base-Backbone interact. energy: -0.039
local terms energy: -53.993659
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -85.108209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.108209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.108209 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -23.316
Base-Backbone interact. energy: -0.586
local terms energy: -43.144340
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -232.757191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757191 (E_RNA)
where:
Base-Base interactions energy: -162.696
where: short stacking energy: -70.163
Base-Backbone interact. energy: -0.496
local terms energy: -69.565502
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -10.386
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: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -217.139396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.139396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139396 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -65.457
Base-Backbone interact. energy: -0.746
local terms energy: -73.143137
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -18.393
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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -188.212532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.212532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.212532 (E_RNA)
where:
Base-Base interactions energy: -121.561
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.130
local terms energy: -66.520751
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -201.817442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.817442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.817442 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -62.656
Base-Backbone interact. energy: -0.585
local terms energy: -74.910435
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -197.795399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.795399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.795399 (E_RNA)
where:
Base-Base interactions energy: -124.376
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.004
local terms energy: -73.415644
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.174
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: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -178.650044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.650044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.650044 (E_RNA)
where:
Base-Base interactions energy: -113.106
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.118
local terms energy: -65.425639
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -15.284
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -100.600309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.600309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.600309 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.317
local terms energy: -56.605196
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -83.466032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.466032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.466032 (E_RNA)
where:
Base-Base interactions energy: -31.332
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.216
local terms energy: -51.917749
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -136.533233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.533233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.533233 (E_RNA)
where:
Base-Base interactions energy: -82.097
where: short stacking energy: -42.814
Base-Backbone interact. energy: 0.329
local terms energy: -54.765494
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.872
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: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -79.997396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.997396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.997396 (E_RNA)
where:
Base-Base interactions energy: -32.018
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.135
local terms energy: -47.843645
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -3.891
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: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -230.292302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292302 (E_RNA)
where:
Base-Base interactions energy: -156.776
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.417
local terms energy: -73.099196
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.609
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: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -198.277763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.277763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.277763 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.220
local terms energy: -64.506214
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -223.523703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.523703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.523703 (E_RNA)
where:
Base-Base interactions energy: -148.065
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.130
local terms energy: -75.328242
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -17.245
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: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -202.743204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.743204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.743204 (E_RNA)
where:
Base-Base interactions energy: -126.162
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.341
local terms energy: -76.240057
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -193.307923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.307923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.307923 (E_RNA)
where:
Base-Base interactions energy: -127.512
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.050
local terms energy: -65.746156
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -181.282410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.282410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.282410 (E_RNA)
where:
Base-Base interactions energy: -115.119
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.075
local terms energy: -66.087936
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.271
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: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -103.602976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.602976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.602976 (E_RNA)
where:
Base-Base interactions energy: -50.217
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.220
local terms energy: -53.166157
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.316
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -124.574187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.574187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.574187 (E_RNA)
where:
Base-Base interactions energy: -63.629
where: short stacking energy: -35.277
Base-Backbone interact. energy: -0.354
local terms energy: -60.591152
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -84.846718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.846718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.846718 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -28.184
Base-Backbone interact. energy: 0.365
local terms energy: -57.027483
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -81.913754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.913754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.913754 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -26.281
Base-Backbone interact. energy: -0.015
local terms energy: -51.250010
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -210.121486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.121486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.121486 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -60.488
Base-Backbone interact. energy: -0.947
local terms energy: -59.157813
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -230.634272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.634272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.634272 (E_RNA)
where:
Base-Base interactions energy: -163.356
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.305
local terms energy: -66.973284
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.828
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -210.204386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.204386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.204386 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -70.437
Base-Backbone interact. energy: -0.064
local terms energy: -77.015674
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -217.046643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.046643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.046643 (E_RNA)
where:
Base-Base interactions energy: -147.955
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.078
local terms energy: -69.013881
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -186.250912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.250912 (E_RNA)
where:
Base-Base interactions energy: -113.555
where: short stacking energy: -57.623
Base-Backbone interact. energy: -1.149
local terms energy: -71.547569
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.002
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -153.788767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.788767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.788767 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -39.148
Base-Backbone interact. energy: -1.028
local terms energy: -53.913587
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -142.785075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.785075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.785075 (E_RNA)
where:
Base-Base interactions energy: -90.437
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.349
local terms energy: -51.998769
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -5.079
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: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -98.344085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.344085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.344085 (E_RNA)
where:
Base-Base interactions energy: -46.810
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.417
local terms energy: -51.117038
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -79.044594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.044594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.044594 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -30.530
Base-Backbone interact. energy: 3.446
local terms energy: -49.185224
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -0.412
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: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -87.361937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361937 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -12.735
Base-Backbone interact. energy: -0.063
local terms energy: -50.180551
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -209.423778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.423778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.423778 (E_RNA)
where:
Base-Base interactions energy: -134.739
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.167
local terms energy: -74.517987
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -213.083596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.083596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.083596 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.000
local terms energy: -78.437467
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -227.388098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.388098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.388098 (E_RNA)
where:
Base-Base interactions energy: -160.884
where: short stacking energy: -67.064
Base-Backbone interact. energy: 1.068
local terms energy: -67.572383
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -16.005
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: 447
Temperature: 1.050000
Total energy: -188.010988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010988 (E_RNA)
where:
Base-Base interactions energy: -115.676
where: short stacking energy: -54.025
Base-Backbone interact. energy: -0.073
local terms energy: -72.262087
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -206.884258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884258 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.113
local terms energy: -57.400133
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -6.046
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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -158.834347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.834347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.834347 (E_RNA)
where:
Base-Base interactions energy: -102.320
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.004
local terms energy: -56.510800
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -160.897626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.897626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.897626 (E_RNA)
where:
Base-Base interactions energy: -106.524
where: short stacking energy: -54.229
Base-Backbone interact. energy: 0.986
local terms energy: -55.359724
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -79.070169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.070169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.070169 (E_RNA)
where:
Base-Base interactions energy: -22.515
where: short stacking energy: -21.873
Base-Backbone interact. energy: -0.158
local terms energy: -56.396330
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -8.719
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: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.704180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.704180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.704180 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.646
local terms energy: -58.886239
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -11.487
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: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -80.651113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.651113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.651113 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -18.336
Base-Backbone interact. energy: -0.209
local terms energy: -49.834040
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -212.878666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.878666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.878666 (E_RNA)
where:
Base-Base interactions energy: -134.852
where: short stacking energy: -72.172
Base-Backbone interact. energy: -0.192
local terms energy: -77.835118
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -200.785236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.785236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.785236 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.067
local terms energy: -72.966983
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -219.650915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650915 (E_RNA)
where:
Base-Base interactions energy: -150.421
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.395
local terms energy: -68.835279
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -176.778043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.778043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.778043 (E_RNA)
where:
Base-Base interactions energy: -104.449
where: short stacking energy: -43.516
Base-Backbone interact. energy: -0.068
local terms energy: -72.260819
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -206.489018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.489018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.489018 (E_RNA)
where:
Base-Base interactions energy: -141.920
where: short stacking energy: -55.240
Base-Backbone interact. energy: 0.982
local terms energy: -65.550757
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -15.854
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: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -166.389959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.389959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.389959 (E_RNA)
where:
Base-Base interactions energy: -105.500
where: short stacking energy: -53.139
Base-Backbone interact. energy: -0.638
local terms energy: -60.251933
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -166.489649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.489649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.489649 (E_RNA)
where:
Base-Base interactions energy: -105.232
where: short stacking energy: -54.092
Base-Backbone interact. energy: -1.570
local terms energy: -59.687255
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -9.810
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: 448
Temperature: 1.250000
Total energy: -85.809324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.809324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.809324 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -25.990
Base-Backbone interact. energy: -1.028
local terms energy: -39.415541
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -5.989
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -77.965621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.965621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.965621 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -31.113
Base-Backbone interact. energy: -0.622
local terms energy: -44.132628
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: 4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -95.437827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.437827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.437827 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.044
local terms energy: -51.933329
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -11.752
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: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -217.882351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882351 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -67.430
Base-Backbone interact. energy: -1.493
local terms energy: -75.775506
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -229.961061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.961061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.961061 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -73.677
Base-Backbone interact. energy: -0.290
local terms energy: -61.419451
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -203.823900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.823900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.823900 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -69.334
Base-Backbone interact. energy: -1.049
local terms energy: -74.125612
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -212.459969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.459969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459969 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -68.950
Base-Backbone interact. energy: -0.111
local terms energy: -65.718013
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -204.791301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791301 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -65.771
Base-Backbone interact. energy: -1.450
local terms energy: -70.090874
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -8.762
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: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -187.756338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.756338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.756338 (E_RNA)
where:
Base-Base interactions energy: -121.556
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.003
local terms energy: -66.196400
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -158.090909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.090909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.090909 (E_RNA)
where:
Base-Base interactions energy: -99.534
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.187
local terms energy: -58.370573
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -9.261
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: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -88.968968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.968968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.968968 (E_RNA)
where:
Base-Base interactions energy: -34.137
where: short stacking energy: -26.330
Base-Backbone interact. energy: 0.391
local terms energy: -55.223383
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -115.748886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.748886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.748886 (E_RNA)
where:
Base-Base interactions energy: -55.361
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.196
local terms energy: -60.191647
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -12.129
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: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.953668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953668 (E_RNA)
where:
Base-Base interactions energy: -32.565
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.533
local terms energy: -52.855676
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -228.242866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.242866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.242866 (E_RNA)
where:
Base-Base interactions energy: -157.179
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.145
local terms energy: -70.918483
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -207.161793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161793 (E_RNA)
where:
Base-Base interactions energy: -141.176
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.050
local terms energy: -65.936217
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -221.789402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789402 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.105
local terms energy: -70.486481
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -189.978453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.978453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.978453 (E_RNA)
where:
Base-Base interactions energy: -126.393
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.866
local terms energy: -62.720435
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -194.744557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.744557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.744557 (E_RNA)
where:
Base-Base interactions energy: -127.622
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.313
local terms energy: -66.809308
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -189.834999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.834999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.834999 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -53.922
Base-Backbone interact. energy: -0.655
local terms energy: -68.348264
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.734
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -159.161958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.161958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.161958 (E_RNA)
where:
Base-Base interactions energy: -103.604
where: short stacking energy: -46.824
Base-Backbone interact. energy: -0.134
local terms energy: -55.424403
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -95.555818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555818 (E_RNA)
where:
Base-Base interactions energy: -37.885
where: short stacking energy: -30.625
Base-Backbone interact. energy: -0.259
local terms energy: -57.412410
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -117.612693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.612693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.612693 (E_RNA)
where:
Base-Base interactions energy: -63.274
where: short stacking energy: -40.573
Base-Backbone interact. energy: -0.363
local terms energy: -53.976048
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -11.974
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: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -83.978385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978385 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.206
local terms energy: -43.822295
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -237.131073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.131073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.131073 (E_RNA)
where:
Base-Base interactions energy: -161.640
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.066
local terms energy: -75.424817
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -225.961604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.961604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.961604 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.069
local terms energy: -75.837571
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -203.454713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.454713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.454713 (E_RNA)
where:
Base-Base interactions energy: -133.896
where: short stacking energy: -62.014
Base-Backbone interact. energy: 0.002
local terms energy: -69.560891
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -189.689784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.689784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.689784 (E_RNA)
where:
Base-Base interactions energy: -125.117
where: short stacking energy: -51.680
Base-Backbone interact. energy: 0.132
local terms energy: -64.704570
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -173.846020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.846020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.846020 (E_RNA)
where:
Base-Base interactions energy: -116.847
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.079
local terms energy: -56.920865
where:
bonds (distance) C4'-P energy: -7.355
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -181.949039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.949039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.949039 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.067
local terms energy: -67.254888
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -153.878333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.878333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.878333 (E_RNA)
where:
Base-Base interactions energy: -105.251
where: short stacking energy: -41.601
Base-Backbone interact. energy: 1.437
local terms energy: -50.065257
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -7.218
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: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -93.263945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263945 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -32.366
Base-Backbone interact. energy: -0.204
local terms energy: -60.693408
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -91.063873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063873 (E_RNA)
where:
Base-Base interactions energy: -38.449
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.526
local terms energy: -52.089127
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -78.858617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858617 (E_RNA)
where:
Base-Base interactions energy: -32.638
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.037
local terms energy: -46.183310
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -3.593
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: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -223.029357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.029357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.029357 (E_RNA)
where:
Base-Base interactions energy: -152.828
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.128
local terms energy: -70.072941
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -232.062780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.062780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.062780 (E_RNA)
where:
Base-Base interactions energy: -167.558
where: short stacking energy: -71.997
Base-Backbone interact. energy: -0.269
local terms energy: -64.235966
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -195.625502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.625502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.625502 (E_RNA)
where:
Base-Base interactions energy: -124.335
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.000
local terms energy: -71.289725
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -19.569
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: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -189.634025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.634025 (E_RNA)
where:
Base-Base interactions energy: -118.327
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.003
local terms energy: -71.303818
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -176.954345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.954345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.954345 (E_RNA)
where:
Base-Base interactions energy: -111.881
where: short stacking energy: -49.672
Base-Backbone interact. energy: -1.067
local terms energy: -64.005878
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -13.624
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: 452
Temperature: 1.150000
Total energy: -179.220101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220101 (E_RNA)
where:
Base-Base interactions energy: -114.234
where: short stacking energy: -50.001
Base-Backbone interact. energy: -0.082
local terms energy: -64.904270
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -95.642226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.642226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.642226 (E_RNA)
where:
Base-Base interactions energy: -40.044
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.200
local terms energy: -55.398126
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -172.702027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.702027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.702027 (E_RNA)
where:
Base-Base interactions energy: -115.432
where: short stacking energy: -49.312
Base-Backbone interact. energy: -1.810
local terms energy: -55.459700
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -92.054755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054755 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -32.823
Base-Backbone interact. energy: -0.262
local terms energy: -45.000179
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -72.586380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.586380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.586380 (E_RNA)
where:
Base-Base interactions energy: -32.163
where: short stacking energy: -9.484
Base-Backbone interact. energy: -0.281
local terms energy: -40.142873
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -227.185489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.185489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.185489 (E_RNA)
where:
Base-Base interactions energy: -150.649
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.178
local terms energy: -76.357998
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -226.647653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.647653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.647653 (E_RNA)
where:
Base-Base interactions energy: -158.989
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.935
local terms energy: -66.722962
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -205.237483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.237483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.237483 (E_RNA)
where:
Base-Base interactions energy: -130.342
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.071
local terms energy: -74.824995
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -197.944092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.944092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.944092 (E_RNA)
where:
Base-Base interactions energy: -131.364
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.172
local terms energy: -66.407712
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -190.172653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.172653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.172653 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.115
local terms energy: -67.763103
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -182.779527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.779527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.779527 (E_RNA)
where:
Base-Base interactions energy: -114.297
where: short stacking energy: -56.056
Base-Backbone interact. energy: -0.315
local terms energy: -68.168423
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -93.161133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.161133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.161133 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -26.654
Base-Backbone interact. energy: -0.194
local terms energy: -57.135958
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -182.626953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626953 (E_RNA)
where:
Base-Base interactions energy: -128.012
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.082
local terms energy: -54.532212
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -11.583
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: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -82.817588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.817588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.817588 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.214
local terms energy: -44.687477
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -2.286
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -82.597579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.597579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.597579 (E_RNA)
where:
Base-Base interactions energy: -36.189
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.002
local terms energy: -46.407326
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -8.446
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -229.491787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.491787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.491787 (E_RNA)
where:
Base-Base interactions energy: -164.067
where: short stacking energy: -64.959
Base-Backbone interact. energy: -0.388
local terms energy: -65.036352
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -220.626637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.626637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626637 (E_RNA)
where:
Base-Base interactions energy: -146.541
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.253
local terms energy: -73.833129
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -203.689326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689326 (E_RNA)
where:
Base-Base interactions energy: -133.075
where: short stacking energy: -69.428
Base-Backbone interact. energy: -0.014
local terms energy: -70.600529
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -193.717901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.717901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.717901 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -54.918
Base-Backbone interact. energy: 0.026
local terms energy: -66.295380
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -192.244375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.244375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.244375 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.714
local terms energy: -62.867774
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -186.528907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.528907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.528907 (E_RNA)
where:
Base-Base interactions energy: -124.520
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.222
local terms energy: -61.786880
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.950
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: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -199.575369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.575369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.575369 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.269
local terms energy: -64.849201
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.524261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524261 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.376
local terms energy: -56.466640
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -74.034119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.034119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.034119 (E_RNA)
where:
Base-Base interactions energy: -16.673
where: short stacking energy: -16.673
Base-Backbone interact. energy: -0.629
local terms energy: -56.732612
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -3.633
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: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -75.270790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.270790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.270790 (E_RNA)
where:
Base-Base interactions energy: -27.066
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.260
local terms energy: -47.945044
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -236.700397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.700397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.700397 (E_RNA)
where:
Base-Base interactions energy: -168.674
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.382
local terms energy: -67.644100
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -221.492571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.492571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.492571 (E_RNA)
where:
Base-Base interactions energy: -151.464
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.114
local terms energy: -69.914978
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -200.666707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.666707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.666707 (E_RNA)
where:
Base-Base interactions energy: -125.788
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.101
local terms energy: -74.777723
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -190.695064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.695064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.695064 (E_RNA)
where:
Base-Base interactions energy: -123.948
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.468
local terms energy: -66.278407
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -189.678339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.678339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.678339 (E_RNA)
where:
Base-Base interactions energy: -115.650
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.123
local terms energy: -73.906198
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -210.539827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.539827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.539827 (E_RNA)
where:
Base-Base interactions energy: -141.063
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.072
local terms energy: -69.405076
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -178.259367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259367 (E_RNA)
where:
Base-Base interactions energy: -117.979
where: short stacking energy: -59.896
Base-Backbone interact. energy: -1.329
local terms energy: -58.951430
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -12.635
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: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -87.706407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.706407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.706407 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.228
local terms energy: -52.158613
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -82.197769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.197769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.197769 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -27.791
Base-Backbone interact. energy: -0.170
local terms energy: -40.171227
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -70.748626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.748626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.748626 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -19.817
Base-Backbone interact. energy: -0.098
local terms energy: -48.609827
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -218.941101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.941101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941101 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.303
local terms energy: -71.236315
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -219.326911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.326911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.326911 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -60.003
Base-Backbone interact. energy: -0.320
local terms energy: -69.708557
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -201.951059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.951059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.951059 (E_RNA)
where:
Base-Base interactions energy: -137.830
where: short stacking energy: -60.955
Base-Backbone interact. energy: -0.330
local terms energy: -63.790604
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -184.661175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.661175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.661175 (E_RNA)
where:
Base-Base interactions energy: -117.774
where: short stacking energy: -54.498
Base-Backbone interact. energy: 1.555
local terms energy: -68.442770
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -214.986814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.986814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.986814 (E_RNA)
where:
Base-Base interactions energy: -138.991
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.350
local terms energy: -75.645269
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -192.062675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.062675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.062675 (E_RNA)
where:
Base-Base interactions energy: -131.180
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.097
local terms energy: -60.785418
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -166.568308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.568308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.568308 (E_RNA)
where:
Base-Base interactions energy: -104.875
where: short stacking energy: -48.142
Base-Backbone interact. energy: -0.271
local terms energy: -61.421965
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -9.516
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: 456
Temperature: 1.250000
Total energy: -91.593015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593015 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.219
local terms energy: -50.694687
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -88.042557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042557 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.225
local terms energy: -47.917686
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -80.372283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.372283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.372283 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -26.244
Base-Backbone interact. energy: 0.306
local terms energy: -54.434161
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -3.825
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -219.414827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.414827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.414827 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -59.803
Base-Backbone interact. energy: -0.350
local terms energy: -71.251754
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.948
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: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -205.753450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.753450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.753450 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.094
local terms energy: -73.283007
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -223.447521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.447521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.447521 (E_RNA)
where:
Base-Base interactions energy: -162.966
where: short stacking energy: -65.633
Base-Backbone interact. energy: 1.350
local terms energy: -61.831386
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -2.540
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -213.095740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.095740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.095740 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -62.416
Base-Backbone interact. energy: 0.197
local terms energy: -64.392122
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -181.255615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.255615 (E_RNA)
where:
Base-Base interactions energy: -119.042
where: short stacking energy: -62.104
Base-Backbone interact. energy: 2.536
local terms energy: -64.749350
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -166.982451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.982451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.982451 (E_RNA)
where:
Base-Base interactions energy: -101.634
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.006
local terms energy: -65.342947
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -151.168816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.168816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.168816 (E_RNA)
where:
Base-Base interactions energy: -103.553
where: short stacking energy: -45.532
Base-Backbone interact. energy: -0.046
local terms energy: -47.569460
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -2.376
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: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -109.065997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.065997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.065997 (E_RNA)
where:
Base-Base interactions energy: -55.146
where: short stacking energy: -43.766
Base-Backbone interact. energy: -1.028
local terms energy: -52.892151
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -106.434409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.434409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.434409 (E_RNA)
where:
Base-Base interactions energy: -54.547
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.240
local terms energy: -51.646867
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.818978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.818978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.818978 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -26.960
Base-Backbone interact. energy: -0.117
local terms energy: -44.000122
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -218.050185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.050185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.050185 (E_RNA)
where:
Base-Base interactions energy: -138.105
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.001
local terms energy: -79.944572
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -22.083
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -224.865598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.865598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.865598 (E_RNA)
where:
Base-Base interactions energy: -146.079
where: short stacking energy: -65.123
Base-Backbone interact. energy: -0.872
local terms energy: -77.914897
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -219.714156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.714156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.714156 (E_RNA)
where:
Base-Base interactions energy: -151.681
where: short stacking energy: -63.271
Base-Backbone interact. energy: 0.910
local terms energy: -68.942835
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -217.368087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.368087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.368087 (E_RNA)
where:
Base-Base interactions energy: -142.533
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.246
local terms energy: -74.589508
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -17.061
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: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -172.851874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.851874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.851874 (E_RNA)
where:
Base-Base interactions energy: -106.764
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.474
local terms energy: -65.614331
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -184.432546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.432546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.432546 (E_RNA)
where:
Base-Base interactions energy: -114.656
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.002
local terms energy: -69.774455
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.961
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: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -104.864615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.864615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.864615 (E_RNA)
where:
Base-Base interactions energy: -55.492
where: short stacking energy: -30.680
Base-Backbone interact. energy: -0.355
local terms energy: -49.018208
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -152.720386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.720386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.720386 (E_RNA)
where:
Base-Base interactions energy: -99.404
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.881
local terms energy: -52.434827
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -126.717580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.717580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.717580 (E_RNA)
where:
Base-Base interactions energy: -81.722
where: short stacking energy: -31.823
Base-Backbone interact. energy: -0.152
local terms energy: -44.842689
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.957
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: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -82.878854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.878854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.878854 (E_RNA)
where:
Base-Base interactions energy: -38.327
where: short stacking energy: -28.366
Base-Backbone interact. energy: -0.339
local terms energy: -44.212942
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -208.625303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.625303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625303 (E_RNA)
where:
Base-Base interactions energy: -127.531
where: short stacking energy: -63.350
Base-Backbone interact. energy: -1.376
local terms energy: -79.718429
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -230.508621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.508621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.508621 (E_RNA)
where:
Base-Base interactions energy: -160.383
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.652
local terms energy: -69.473100
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -218.491712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.491712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.491712 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -62.934
Base-Backbone interact. energy: -1.264
local terms energy: -76.405463
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.871
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: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -202.342620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.342620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.342620 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -71.677
Base-Backbone interact. energy: -1.303
local terms energy: -68.076647
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -208.267862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.267862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267862 (E_RNA)
where:
Base-Base interactions energy: -139.345
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.286
local terms energy: -68.636993
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -177.247952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.247952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.247952 (E_RNA)
where:
Base-Base interactions energy: -128.696
where: short stacking energy: -53.318
Base-Backbone interact. energy: -0.296
local terms energy: -48.255715
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -8.621
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: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -99.808241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.808241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.808241 (E_RNA)
where:
Base-Base interactions energy: -43.341
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.031
local terms energy: -56.436786
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -147.923533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.923533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.923533 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -51.864
Base-Backbone interact. energy: -1.254
local terms energy: -51.124473
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -8.213
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -83.649291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649291 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -29.461
Base-Backbone interact. energy: 0.110
local terms energy: -52.138977
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -72.039745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.039745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.039745 (E_RNA)
where:
Base-Base interactions energy: -25.560
where: short stacking energy: -23.986
Base-Backbone interact. energy: -0.118
local terms energy: -46.361722
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -234.848251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.848251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848251 (E_RNA)
where:
Base-Base interactions energy: -159.243
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.406
local terms energy: -75.199406
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -204.241594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.241594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.241594 (E_RNA)
where:
Base-Base interactions energy: -125.655
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.141
local terms energy: -78.445574
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -223.194034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.194034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.194034 (E_RNA)
where:
Base-Base interactions energy: -151.242
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.367
local terms energy: -71.584536
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -204.005208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.005208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.005208 (E_RNA)
where:
Base-Base interactions energy: -132.996
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.120
local terms energy: -70.889272
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -206.287068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.287068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287068 (E_RNA)
where:
Base-Base interactions energy: -140.634
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.025
local terms energy: -65.628086
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -154.053207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.053207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.053207 (E_RNA)
where:
Base-Base interactions energy: -88.101
where: short stacking energy: -48.310
Base-Backbone interact. energy: -0.888
local terms energy: -65.064304
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -9.839
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: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -150.200402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.200402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.200402 (E_RNA)
where:
Base-Base interactions energy: -96.309
where: short stacking energy: -41.674
Base-Backbone interact. energy: 1.325
local terms energy: -55.216426
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -92.775913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.775913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.775913 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.299
local terms energy: -57.483955
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -76.752087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.752087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.752087 (E_RNA)
where:
Base-Base interactions energy: -27.987
where: short stacking energy: -27.987
Base-Backbone interact. energy: -0.011
local terms energy: -48.754774
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -85.352709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.352709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.352709 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.103
local terms energy: -51.816215
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -236.537775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.537775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.537775 (E_RNA)
where:
Base-Base interactions energy: -163.191
where: short stacking energy: -71.135
Base-Backbone interact. energy: -0.763
local terms energy: -72.583836
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -229.641140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.641140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.641140 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.150
local terms energy: -79.653572
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -193.831629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.831629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.831629 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -51.285
Base-Backbone interact. energy: -1.782
local terms energy: -77.943696
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -202.704764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.704764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.704764 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.279
local terms energy: -71.488638
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -195.268176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.268176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.268176 (E_RNA)
where:
Base-Base interactions energy: -132.725
where: short stacking energy: -55.561
Base-Backbone interact. energy: -0.400
local terms energy: -62.143188
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -158.414302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.414302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.414302 (E_RNA)
where:
Base-Base interactions energy: -105.405
where: short stacking energy: -46.157
Base-Backbone interact. energy: 2.986
local terms energy: -55.995113
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -8.547
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -148.407449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.407449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.407449 (E_RNA)
where:
Base-Base interactions energy: -82.871
where: short stacking energy: -47.393
Base-Backbone interact. energy: -1.005
local terms energy: -64.531550
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.642
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -95.846592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.846592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.846592 (E_RNA)
where:
Base-Base interactions energy: -48.291
where: short stacking energy: -41.282
Base-Backbone interact. energy: -0.004
local terms energy: -47.552360
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -78.361370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.361370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.361370 (E_RNA)
where:
Base-Base interactions energy: -28.676
where: short stacking energy: -28.676
Base-Backbone interact. energy: -0.025
local terms energy: -49.659627
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -76.200894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.200894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.200894 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -27.290
Base-Backbone interact. energy: 0.945
local terms energy: -44.783978
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -222.792163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.792163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.792163 (E_RNA)
where:
Base-Base interactions energy: -148.046
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.174
local terms energy: -74.572617
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -230.227529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.227529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.227529 (E_RNA)
where:
Base-Base interactions energy: -157.334
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.887
local terms energy: -72.006313
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -15.480
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: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -214.162691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.162691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.162691 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.216
local terms energy: -67.835433
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -17.656
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: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -198.461521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.461521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.461521 (E_RNA)
where:
Base-Base interactions energy: -126.751
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.190
local terms energy: -71.520850
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -12.842
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: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -178.702001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702001 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -60.904
Base-Backbone interact. energy: 0.936
local terms energy: -62.416582
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -167.337001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.337001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.337001 (E_RNA)
where:
Base-Base interactions energy: -100.923
where: short stacking energy: -57.727
Base-Backbone interact. energy: -0.003
local terms energy: -66.410828
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.819
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: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -155.565314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.565314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.565314 (E_RNA)
where:
Base-Base interactions energy: -94.274
where: short stacking energy: -45.322
Base-Backbone interact. energy: -0.532
local terms energy: -60.759699
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -11.322
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: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -81.350060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350060 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.059
local terms energy: -54.010602
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -80.185229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.185229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.185229 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -25.389
Base-Backbone interact. energy: -0.019
local terms energy: -48.505141
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -84.211090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.211090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.211090 (E_RNA)
where:
Base-Base interactions energy: -35.155
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.198
local terms energy: -48.858592
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -224.455330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.455330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.455330 (E_RNA)
where:
Base-Base interactions energy: -151.802
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.181
local terms energy: -72.472256
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -224.146656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.146656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.146656 (E_RNA)
where:
Base-Base interactions energy: -157.719
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.206
local terms energy: -66.221704
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -13.570
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: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -220.785605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.785605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.785605 (E_RNA)
where:
Base-Base interactions energy: -155.666
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.905
local terms energy: -64.213662
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -177.644869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.644869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.644869 (E_RNA)
where:
Base-Base interactions energy: -114.416
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.146
local terms energy: -63.082990
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -12.156
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: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -192.763225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.763225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.763225 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -59.120
Base-Backbone interact. energy: 0.700
local terms energy: -57.099251
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -8.210
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: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -180.935591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.935591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.935591 (E_RNA)
where:
Base-Base interactions energy: -114.008
where: short stacking energy: -51.173
Base-Backbone interact. energy: -0.043
local terms energy: -66.884175
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -138.776597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.776597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.776597 (E_RNA)
where:
Base-Base interactions energy: -78.452
where: short stacking energy: -40.872
Base-Backbone interact. energy: -0.043
local terms energy: -60.282135
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.931
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: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -97.120647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120647 (E_RNA)
where:
Base-Base interactions energy: -50.239
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.369
local terms energy: -46.512935
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -84.505019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.505019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.505019 (E_RNA)
where:
Base-Base interactions energy: -30.708
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.574
local terms energy: -53.222652
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -83.413778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413778 (E_RNA)
where:
Base-Base interactions energy: -33.731
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.130
local terms energy: -49.552528
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -225.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.552407 (E_RNA)
where:
Base-Base interactions energy: -151.173
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.159
local terms energy: -74.220336
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -215.852776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.852776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.852776 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -71.261
Base-Backbone interact. energy: 2.126
local terms energy: -70.824606
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -228.289695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.289695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.289695 (E_RNA)
where:
Base-Base interactions energy: -160.929
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.343
local terms energy: -67.017269
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -189.395663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.395663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.395663 (E_RNA)
where:
Base-Base interactions energy: -115.348
where: short stacking energy: -47.895
Base-Backbone interact. energy: -2.167
local terms energy: -71.880459
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.482
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: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -201.091053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.091053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091053 (E_RNA)
where:
Base-Base interactions energy: -128.058
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.192
local terms energy: -72.840812
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.793
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: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -173.009066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.009066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.009066 (E_RNA)
where:
Base-Base interactions energy: -106.313
where: short stacking energy: -50.270
Base-Backbone interact. energy: 1.480
local terms energy: -68.175615
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.019
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -179.798729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.798729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.798729 (E_RNA)
where:
Base-Base interactions energy: -115.687
where: short stacking energy: -56.717
Base-Backbone interact. energy: -1.936
local terms energy: -62.174833
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.920240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.920240 (E_RNA)
where:
Base-Base interactions energy: -34.157
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.186
local terms energy: -57.577241
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.922
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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -79.929626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.929626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.929626 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.263
local terms energy: -42.855651
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -82.904985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.904985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.904985 (E_RNA)
where:
Base-Base interactions energy: -30.207
where: short stacking energy: -22.911
Base-Backbone interact. energy: -0.210
local terms energy: -52.487098
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -220.570106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.570106 (E_RNA)
where:
Base-Base interactions energy: -151.079
where: short stacking energy: -65.761
Base-Backbone interact. energy: 0.612
local terms energy: -70.102922
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -220.700301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700301 (E_RNA)
where:
Base-Base interactions energy: -157.189
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.374
local terms energy: -63.136430
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -216.520566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.520566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520566 (E_RNA)
where:
Base-Base interactions energy: -142.406
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.246
local terms energy: -73.868673
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -205.784630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.784630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.784630 (E_RNA)
where:
Base-Base interactions energy: -129.516
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.859
local terms energy: -75.409473
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -21.239
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: 465
Temperature: 1.100000
Total energy: -159.253223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.253223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.253223 (E_RNA)
where:
Base-Base interactions energy: -101.808
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.089
local terms energy: -57.356078
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -167.764424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764424 (E_RNA)
where:
Base-Base interactions energy: -106.347
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.486
local terms energy: -60.931650
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -8.424
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: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -167.498807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.498807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.498807 (E_RNA)
where:
Base-Base interactions energy: -108.050
where: short stacking energy: -40.143
Base-Backbone interact. energy: -1.093
local terms energy: -58.355315
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -81.534535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534535 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.070
local terms energy: -47.002533
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -83.987477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987477 (E_RNA)
where:
Base-Base interactions energy: -34.940
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.102
local terms energy: -48.945806
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -82.558703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.558703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.558703 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -18.784
Base-Backbone interact. energy: -0.248
local terms energy: -57.269651
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -230.101668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.101668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.101668 (E_RNA)
where:
Base-Base interactions energy: -160.051
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.747
local terms energy: -69.303792
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -220.341468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.341468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.341468 (E_RNA)
where:
Base-Base interactions energy: -144.966
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.100
local terms energy: -75.275360
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.605
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: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -213.470906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.470906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.470906 (E_RNA)
where:
Base-Base interactions energy: -140.335
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.383
local terms energy: -72.753094
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -204.997374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997374 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.535
local terms energy: -72.778545
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -15.785
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: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -183.307819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307819 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -56.920
Base-Backbone interact. energy: 0.416
local terms energy: -65.126141
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -177.314772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.314772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.314772 (E_RNA)
where:
Base-Base interactions energy: -109.052
where: short stacking energy: -49.711
Base-Backbone interact. energy: -0.060
local terms energy: -68.202646
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -159.181109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.181109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.181109 (E_RNA)
where:
Base-Base interactions energy: -99.423
where: short stacking energy: -50.085
Base-Backbone interact. energy: -0.279
local terms energy: -59.478835
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -81.354351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354351 (E_RNA)
where:
Base-Base interactions energy: -30.487
where: short stacking energy: -30.487
Base-Backbone interact. energy: 0.729
local terms energy: -51.596371
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -87.429092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.429092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.429092 (E_RNA)
where:
Base-Base interactions energy: -41.004
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.279
local terms energy: -46.146866
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -103.250387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.250387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.250387 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -18.074
Base-Backbone interact. energy: 0.324
local terms energy: -60.217736
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -9.775
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -229.607201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.607201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.607201 (E_RNA)
where:
Base-Base interactions energy: -160.922
where: short stacking energy: -66.326
Base-Backbone interact. energy: -0.375
local terms energy: -68.309816
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -218.136773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.136773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.136773 (E_RNA)
where:
Base-Base interactions energy: -147.994
where: short stacking energy: -67.461
Base-Backbone interact. energy: -0.062
local terms energy: -70.080817
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -213.256643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.256643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.256643 (E_RNA)
where:
Base-Base interactions energy: -143.925
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.163
local terms energy: -69.168929
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -187.167983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167983 (E_RNA)
where:
Base-Base interactions energy: -115.322
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.022
local terms energy: -71.824500
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -201.523241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.523241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.523241 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.233
local terms energy: -62.058772
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -12.259
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: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -177.182834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182834 (E_RNA)
where:
Base-Base interactions energy: -108.455
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.038
local terms energy: -68.689074
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -153.601428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.601428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.601428 (E_RNA)
where:
Base-Base interactions energy: -104.236
where: short stacking energy: -45.432
Base-Backbone interact. energy: -0.044
local terms energy: -49.322069
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -6.490
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: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -83.297530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297530 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.196
local terms energy: -42.792190
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -84.391143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.391143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.391143 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.548
local terms energy: -50.327929
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -86.337177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.337177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.337177 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.011
local terms energy: -57.952155
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -6.675
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -230.950667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.950667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.950667 (E_RNA)
where:
Base-Base interactions energy: -163.114
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.292
local terms energy: -67.545271
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.612
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: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -217.828895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.828895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.828895 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -56.200
Base-Backbone interact. energy: -0.680
local terms energy: -70.695155
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -207.297399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.297399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.297399 (E_RNA)
where:
Base-Base interactions energy: -133.810
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.324
local terms energy: -73.163411
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -178.128418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.128418 (E_RNA)
where:
Base-Base interactions energy: -106.229
where: short stacking energy: -54.698
Base-Backbone interact. energy: -1.196
local terms energy: -70.703284
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -15.749
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -215.329963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.329963 (E_RNA)
where:
Base-Base interactions energy: -148.505
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.054
local terms energy: -66.771079
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -172.185701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.185701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.185701 (E_RNA)
where:
Base-Base interactions energy: -100.214
where: short stacking energy: -49.596
Base-Backbone interact. energy: -1.279
local terms energy: -70.692849
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -148.097858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.097858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.097858 (E_RNA)
where:
Base-Base interactions energy: -92.568
where: short stacking energy: -44.377
Base-Backbone interact. energy: 0.979
local terms energy: -56.509348
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -99.745715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.745715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.745715 (E_RNA)
where:
Base-Base interactions energy: -46.451
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.662
local terms energy: -52.632840
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -83.800880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800880 (E_RNA)
where:
Base-Base interactions energy: -30.953
where: short stacking energy: -30.953
Base-Backbone interact. energy: -0.180
local terms energy: -52.667579
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -81.773747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.773747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.773747 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -30.694
Base-Backbone interact. energy: 0.072
local terms energy: -51.151859
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -4.656
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: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -228.468666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.468666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.468666 (E_RNA)
where:
Base-Base interactions energy: -158.727
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.877
local terms energy: -68.863807
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -17.552
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: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -219.669189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.669189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.669189 (E_RNA)
where:
Base-Base interactions energy: -151.223
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.096
local terms energy: -68.350525
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.464
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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -207.930576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.930576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.930576 (E_RNA)
where:
Base-Base interactions energy: -142.980
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.533
local terms energy: -64.417560
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -215.688352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688352 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -54.282
Base-Backbone interact. energy: -0.129
local terms energy: -70.938567
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -165.434541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.434541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.434541 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.358
local terms energy: -56.019812
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -160.441458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.441458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.441458 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.433
local terms energy: -62.720683
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -150.706860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.706860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.706860 (E_RNA)
where:
Base-Base interactions energy: -91.150
where: short stacking energy: -52.157
Base-Backbone interact. energy: -0.046
local terms energy: -59.510762
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.490956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.490956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.490956 (E_RNA)
where:
Base-Base interactions energy: -44.751
where: short stacking energy: -31.178
Base-Backbone interact. energy: -1.012
local terms energy: -42.727940
where:
bonds (distance) C4'-P energy: -6.522
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -8.703
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: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -80.237387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237387 (E_RNA)
where:
Base-Base interactions energy: -37.467
where: short stacking energy: -35.758
Base-Backbone interact. energy: -0.345
local terms energy: -42.425241
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -84.077198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.077198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.077198 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.095
local terms energy: -41.858385
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -9.038
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -224.822936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.822936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822936 (E_RNA)
where:
Base-Base interactions energy: -150.703
where: short stacking energy: -62.892
Base-Backbone interact. energy: -0.355
local terms energy: -73.764223
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -11.502
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: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -230.021981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.021981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.021981 (E_RNA)
where:
Base-Base interactions energy: -165.876
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.560
local terms energy: -63.586056
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.850
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: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -207.999552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999552 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.489
local terms energy: -71.241616
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -210.029315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.029315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.029315 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -49.956
Base-Backbone interact. energy: -1.203
local terms energy: -70.731651
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -14.370
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: -167.626965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.626965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.626965 (E_RNA)
where:
Base-Base interactions energy: -103.988
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.121
local terms energy: -63.517831
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -151.260489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.260489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.260489 (E_RNA)
where:
Base-Base interactions energy: -92.085
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.195
local terms energy: -58.980666
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -159.783308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783308 (E_RNA)
where:
Base-Base interactions energy: -100.716
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.189
local terms energy: -58.878936
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -107.839194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.839194 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.195
local terms energy: -60.169841
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -79.288337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.288337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.288337 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.006
local terms energy: -47.848913
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -77.236199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236199 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -29.716
Base-Backbone interact. energy: 0.105
local terms energy: -47.624757
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -226.177670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.177670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.177670 (E_RNA)
where:
Base-Base interactions energy: -149.859
where: short stacking energy: -68.770
Base-Backbone interact. energy: 0.160
local terms energy: -76.478813
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -232.349959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.349959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.349959 (E_RNA)
where:
Base-Base interactions energy: -162.610
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.402
local terms energy: -69.337595
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -207.359339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.359339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.359339 (E_RNA)
where:
Base-Base interactions energy: -133.476
where: short stacking energy: -69.741
Base-Backbone interact. energy: -0.016
local terms energy: -73.867922
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -209.344368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.344368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.344368 (E_RNA)
where:
Base-Base interactions energy: -145.709
where: short stacking energy: -58.765
Base-Backbone interact. energy: 1.185
local terms energy: -64.821149
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -156.676593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.676593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.676593 (E_RNA)
where:
Base-Base interactions energy: -102.620
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.029
local terms energy: -54.027388
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -170.906710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.906710 (E_RNA)
where:
Base-Base interactions energy: -108.886
where: short stacking energy: -45.366
Base-Backbone interact. energy: -0.430
local terms energy: -61.591169
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -163.363296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.363296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.363296 (E_RNA)
where:
Base-Base interactions energy: -107.394
where: short stacking energy: -49.998
Base-Backbone interact. energy: -0.086
local terms energy: -55.883779
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -90.206618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206618 (E_RNA)
where:
Base-Base interactions energy: -42.806
where: short stacking energy: -30.807
Base-Backbone interact. energy: 0.561
local terms energy: -47.961870
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.079757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079757 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.050
local terms energy: -51.544469
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -76.364556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364556 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -30.197
Base-Backbone interact. energy: 1.218
local terms energy: -47.385196
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -232.426059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.426059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.426059 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.759
local terms energy: -71.630615
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -223.292119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.292119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.292119 (E_RNA)
where:
Base-Base interactions energy: -149.235
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.106
local terms energy: -73.950957
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -214.814615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814615 (E_RNA)
where:
Base-Base interactions energy: -144.281
where: short stacking energy: -63.463
Base-Backbone interact. energy: 0.344
local terms energy: -70.877677
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -204.709851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.709851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.709851 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.072
local terms energy: -65.133912
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.700
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -177.013310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013310 (E_RNA)
where:
Base-Base interactions energy: -115.563
where: short stacking energy: -53.257
Base-Backbone interact. energy: 0.631
local terms energy: -62.081531
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -13.752
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: 472
Temperature: 1.150000
Total energy: -151.463591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.463591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.463591 (E_RNA)
where:
Base-Base interactions energy: -91.943
where: short stacking energy: -40.086
Base-Backbone interact. energy: -0.353
local terms energy: -59.167978
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -166.789487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.789487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.789487 (E_RNA)
where:
Base-Base interactions energy: -113.396
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.236
local terms energy: -53.157729
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -85.161101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.161101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.161101 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.428
local terms energy: -48.020240
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -86.069536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069536 (E_RNA)
where:
Base-Base interactions energy: -24.719
where: short stacking energy: -24.719
Base-Backbone interact. energy: -0.013
local terms energy: -61.337740
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.844168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.844168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.844168 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -31.069
Base-Backbone interact. energy: -0.117
local terms energy: -49.658396
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -231.985213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.985213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.985213 (E_RNA)
where:
Base-Base interactions energy: -161.401
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.285
local terms energy: -70.299003
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -227.933265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.933265 (E_RNA)
where:
Base-Base interactions energy: -161.583
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.213
local terms energy: -66.137673
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.168
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: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -216.123146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.123146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.123146 (E_RNA)
where:
Base-Base interactions energy: -147.260
where: short stacking energy: -61.321
Base-Backbone interact. energy: -1.044
local terms energy: -67.819022
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -12.995
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: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -195.047446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047446 (E_RNA)
where:
Base-Base interactions energy: -122.395
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.009
local terms energy: -72.642710
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -193.291789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.291789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.291789 (E_RNA)
where:
Base-Base interactions energy: -122.684
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.953
local terms energy: -69.655172
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -15.126
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: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -179.012023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.012023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.012023 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.269
local terms energy: -61.124263
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -155.886932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.886932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.886932 (E_RNA)
where:
Base-Base interactions energy: -103.394
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.029
local terms energy: -52.464005
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -6.897
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: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -150.453989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.453989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.453989 (E_RNA)
where:
Base-Base interactions energy: -96.803
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.350
local terms energy: -53.301334
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -84.744648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744648 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -18.531
Base-Backbone interact. energy: -0.250
local terms energy: -47.441301
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -77.934410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.934410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.934410 (E_RNA)
where:
Base-Base interactions energy: -39.186
where: short stacking energy: -23.591
Base-Backbone interact. energy: 0.526
local terms energy: -39.273736
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -6.721
flat angles P-C4'-P energy: -8.089
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: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -230.540235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.540235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.540235 (E_RNA)
where:
Base-Base interactions energy: -157.385
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.364
local terms energy: -72.791873
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -11.151
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: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -223.660524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.660524 (E_RNA)
where:
Base-Base interactions energy: -147.444
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.300
local terms energy: -75.917085
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -17.478
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: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -215.525813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.525813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.525813 (E_RNA)
where:
Base-Base interactions energy: -137.304
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.841
local terms energy: -77.381384
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -207.058258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.058258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.058258 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.012
local terms energy: -71.116954
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -17.317
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: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -178.414865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.414865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.414865 (E_RNA)
where:
Base-Base interactions energy: -104.875
where: short stacking energy: -42.509
Base-Backbone interact. energy: -1.007
local terms energy: -72.532996
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -183.148235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.148235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.148235 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.423
local terms energy: -67.961178
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -12.976
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: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -159.160366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.160366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.160366 (E_RNA)
where:
Base-Base interactions energy: -99.104
where: short stacking energy: -43.316
Base-Backbone interact. energy: -0.193
local terms energy: -59.862891
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -11.236
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: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -148.958413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.958413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.958413 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -35.370
Base-Backbone interact. energy: -0.525
local terms energy: -55.833516
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -78.084675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084675 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.142
local terms energy: -54.462527
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -9.904
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: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -75.653180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.653180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.653180 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.060
local terms energy: -48.981079
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -237.838216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.838216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.838216 (E_RNA)
where:
Base-Base interactions energy: -163.294
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.196
local terms energy: -74.348596
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -219.462017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.462017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.462017 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.047
local terms energy: -68.584475
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -207.191744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.191744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.191744 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -55.354
Base-Backbone interact. energy: -1.687
local terms energy: -62.511215
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -11.250
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: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -182.168946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.168946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.168946 (E_RNA)
where:
Base-Base interactions energy: -116.658
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.002
local terms energy: -65.509062
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -205.711357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711357 (E_RNA)
where:
Base-Base interactions energy: -135.367
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.013
local terms energy: -70.331318
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -200.459493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.459493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.459493 (E_RNA)
where:
Base-Base interactions energy: -131.280
where: short stacking energy: -61.649
Base-Backbone interact. energy: -1.312
local terms energy: -67.867163
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -172.740661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.740661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.740661 (E_RNA)
where:
Base-Base interactions energy: -107.299
where: short stacking energy: -48.008
Base-Backbone interact. energy: -0.108
local terms energy: -65.333300
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -146.613559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.613559 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -41.968
Base-Backbone interact. energy: -0.179
local terms energy: -45.638121
where:
bonds (distance) C4'-P energy: -2.348
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -89.867153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867153 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -29.142
Base-Backbone interact. energy: 0.508
local terms energy: -44.834390
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.675
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: 475
Temperature: 1.350000
Total energy: -78.843170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.843170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.843170 (E_RNA)
where:
Base-Base interactions energy: -23.170
where: short stacking energy: -18.185
Base-Backbone interact. energy: -0.704
local terms energy: -54.968791
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.647
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: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -232.034767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.034767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.034767 (E_RNA)
where:
Base-Base interactions energy: -156.178
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.419
local terms energy: -75.437814
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -229.403103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.403103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.403103 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -68.428
Base-Backbone interact. energy: -0.106
local terms energy: -70.727613
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -221.021639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.021639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.021639 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.159
local terms energy: -77.736083
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -197.587297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587297 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -64.856
Base-Backbone interact. energy: -0.490
local terms energy: -75.604688
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -201.427224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427224 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -59.754
Base-Backbone interact. energy: -1.632
local terms energy: -58.390522
where:
bonds (distance) C4'-P energy: -7.295
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -177.839339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.839339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.839339 (E_RNA)
where:
Base-Base interactions energy: -110.628
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.006
local terms energy: -67.205257
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -160.698990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.698990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.698990 (E_RNA)
where:
Base-Base interactions energy: -108.423
where: short stacking energy: -47.968
Base-Backbone interact. energy: 0.882
local terms energy: -53.157989
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -7.138
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -138.615393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.615393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.615393 (E_RNA)
where:
Base-Base interactions energy: -87.345
where: short stacking energy: -41.848
Base-Backbone interact. energy: 0.316
local terms energy: -51.587085
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.468839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.468839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.468839 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.240
local terms energy: -46.579521
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -71.221599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.221599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.221599 (E_RNA)
where:
Base-Base interactions energy: -29.669
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.033
local terms energy: -41.520081
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: -3.871
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: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -231.933159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.933159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.933159 (E_RNA)
where:
Base-Base interactions energy: -160.013
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.476
local terms energy: -71.444257
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -228.509894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.509894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.509894 (E_RNA)
where:
Base-Base interactions energy: -157.988
where: short stacking energy: -66.941
Base-Backbone interact. energy: 0.162
local terms energy: -70.684186
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -219.795428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.795428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.795428 (E_RNA)
where:
Base-Base interactions energy: -145.664
where: short stacking energy: -62.488
Base-Backbone interact. energy: 0.222
local terms energy: -74.353551
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -213.372293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.372293 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.082
local terms energy: -61.456535
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -192.494826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.494826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.494826 (E_RNA)
where:
Base-Base interactions energy: -126.215
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.647
local terms energy: -65.632305
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -7.415
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: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -159.347054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.347054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.347054 (E_RNA)
where:
Base-Base interactions energy: -101.782
where: short stacking energy: -39.057
Base-Backbone interact. energy: -0.416
local terms energy: -57.148690
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -167.683729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.683729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.683729 (E_RNA)
where:
Base-Base interactions energy: -99.617
where: short stacking energy: -52.585
Base-Backbone interact. energy: -0.411
local terms energy: -67.656265
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -162.912269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.912269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.912269 (E_RNA)
where:
Base-Base interactions energy: -100.202
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.559
local terms energy: -62.152170
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -85.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.985875 (E_RNA)
where:
Base-Base interactions energy: -37.350
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.269
local terms energy: -48.367239
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -5.958
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -80.228053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.228053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.228053 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.144
local terms energy: -39.631679
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 0.709
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: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -239.350589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350589 (E_RNA)
where:
Base-Base interactions energy: -165.635
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.703
local terms energy: -73.012899
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -219.622850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.622850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.622850 (E_RNA)
where:
Base-Base interactions energy: -151.896
where: short stacking energy: -68.612
Base-Backbone interact. energy: 0.046
local terms energy: -67.773024
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -212.242041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.242041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.242041 (E_RNA)
where:
Base-Base interactions energy: -144.267
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.122
local terms energy: -67.852866
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -215.597864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.597864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.597864 (E_RNA)
where:
Base-Base interactions energy: -139.389
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.104
local terms energy: -76.105016
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -13.896
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: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -173.706340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.706340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.706340 (E_RNA)
where:
Base-Base interactions energy: -109.973
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.485
local terms energy: -63.247882
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -9.022
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: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -177.402426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.402426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.402426 (E_RNA)
where:
Base-Base interactions energy: -113.882
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.012
local terms energy: -63.508330
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -7.304
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -120.230321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.230321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.230321 (E_RNA)
where:
Base-Base interactions energy: -68.024
where: short stacking energy: -40.536
Base-Backbone interact. energy: -0.051
local terms energy: -52.155216
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -7.041
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -137.376531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.376531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.376531 (E_RNA)
where:
Base-Base interactions energy: -78.806
where: short stacking energy: -42.294
Base-Backbone interact. energy: -0.215
local terms energy: -58.355403
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -92.499055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499055 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.752
local terms energy: -60.154875
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -85.040115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.040115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.040115 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.415
local terms energy: -45.869215
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -230.962301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.962301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.962301 (E_RNA)
where:
Base-Base interactions energy: -155.648
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.488
local terms energy: -74.826621
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -220.340394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.340394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.340394 (E_RNA)
where:
Base-Base interactions energy: -146.760
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.233
local terms energy: -73.347948
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -217.396268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.396268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.396268 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.202
local terms energy: -71.705649
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -212.967059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.967059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.967059 (E_RNA)
where:
Base-Base interactions energy: -150.138
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.397
local terms energy: -62.432105
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -187.146914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.146914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146914 (E_RNA)
where:
Base-Base interactions energy: -117.113
where: short stacking energy: -56.901
Base-Backbone interact. energy: -0.572
local terms energy: -69.462054
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -163.251156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.251156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.251156 (E_RNA)
where:
Base-Base interactions energy: -111.049
where: short stacking energy: -33.518
Base-Backbone interact. energy: 2.027
local terms energy: -54.229781
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -94.524859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.524859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.524859 (E_RNA)
where:
Base-Base interactions energy: -46.304
where: short stacking energy: -39.001
Base-Backbone interact. energy: 1.523
local terms energy: -49.744639
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -88.176453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.176453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.176453 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.014
local terms energy: -55.260160
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -10.828
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: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -86.299023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299023 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.299
local terms energy: -54.152722
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -1.552
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: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -89.509652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509652 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -26.189
Base-Backbone interact. energy: -1.306
local terms energy: -43.285811
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -233.051279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.051279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.051279 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.378
local terms energy: -80.387054
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -225.766839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.766839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.766839 (E_RNA)
where:
Base-Base interactions energy: -161.644
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.467
local terms energy: -63.655585
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -212.840533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.840533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.840533 (E_RNA)
where:
Base-Base interactions energy: -137.146
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.180
local terms energy: -75.513993
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -214.054901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.054901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054901 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.257
local terms energy: -60.440655
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -170.070682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.070682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.070682 (E_RNA)
where:
Base-Base interactions energy: -106.274
where: short stacking energy: -47.492
Base-Backbone interact. energy: -0.254
local terms energy: -63.542309
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -11.532
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: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -160.610340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.610340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.610340 (E_RNA)
where:
Base-Base interactions energy: -106.248
where: short stacking energy: -44.287
Base-Backbone interact. energy: -0.456
local terms energy: -53.906925
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -6.674
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: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -82.448944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448944 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.182
local terms energy: -53.197481
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -80.637415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637415 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.528
local terms energy: -50.771872
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.728
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: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -86.967620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.967620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.967620 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.130
local terms energy: -56.053804
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -7.257
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: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.469874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.469874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.469874 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -17.038
Base-Backbone interact. energy: -0.290
local terms energy: -47.322834
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -227.418448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.418448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.418448 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.072
local terms energy: -75.743327
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -235.463532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.463532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.463532 (E_RNA)
where:
Base-Base interactions energy: -165.861
where: short stacking energy: -66.582
Base-Backbone interact. energy: 0.445
local terms energy: -70.047676
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -15.867
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: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -217.091310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.091310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.091310 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.215
local terms energy: -73.122875
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -220.389525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.389525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.389525 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -60.552
Base-Backbone interact. energy: -0.517
local terms energy: -62.544810
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -176.808410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.808410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.808410 (E_RNA)
where:
Base-Base interactions energy: -105.768
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.088
local terms energy: -70.951790
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -168.977170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.977170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.977170 (E_RNA)
where:
Base-Base interactions energy: -104.598
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.091
local terms energy: -64.288073
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -108.233831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.233831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.233831 (E_RNA)
where:
Base-Base interactions energy: -49.973
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.043
local terms energy: -58.218150
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -86.139535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139535 (E_RNA)
where:
Base-Base interactions energy: -29.488
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.250
local terms energy: -56.401281
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -12.953
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: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -79.717430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717430 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -32.366
Base-Backbone interact. energy: 0.349
local terms energy: -47.699689
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -81.147326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147326 (E_RNA)
where:
Base-Base interactions energy: -31.515
where: short stacking energy: -20.437
Base-Backbone interact. energy: -0.969
local terms energy: -48.662655
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: 0.716
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: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -231.809230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.809230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.809230 (E_RNA)
where:
Base-Base interactions energy: -160.088
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.707
local terms energy: -71.013399
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -14.630
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: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -219.440951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.440951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.440951 (E_RNA)
where:
Base-Base interactions energy: -156.167
where: short stacking energy: -70.028
Base-Backbone interact. energy: 1.239
local terms energy: -64.512271
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -5.770
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: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -216.670728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.670728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.670728 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -63.404
Base-Backbone interact. energy: -0.115
local terms energy: -74.878985
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -212.219478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.219478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.219478 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.737
local terms energy: -65.999166
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -198.774279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774279 (E_RNA)
where:
Base-Base interactions energy: -131.178
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.221
local terms energy: -67.375242
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -163.713811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.713811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.713811 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.612
local terms energy: -61.991714
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.082
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: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -93.586845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.586845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.586845 (E_RNA)
where:
Base-Base interactions energy: -40.422
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.349
local terms energy: -52.816101
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -92.096664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.096664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.096664 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -26.862
Base-Backbone interact. energy: -0.108
local terms energy: -53.024410
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -2.278
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: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -74.089450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.089450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.089450 (E_RNA)
where:
Base-Base interactions energy: -29.237
where: short stacking energy: -27.179
Base-Backbone interact. energy: -0.003
local terms energy: -44.850234
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -3.355
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: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -72.371497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.371497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.371497 (E_RNA)
where:
Base-Base interactions energy: -22.727
where: short stacking energy: -18.739
Base-Backbone interact. energy: -0.109
local terms energy: -49.535725
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -232.094224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.094224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.094224 (E_RNA)
where:
Base-Base interactions energy: -156.206
where: short stacking energy: -65.419
Base-Backbone interact. energy: 0.950
local terms energy: -76.837592
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -222.298253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.298253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.298253 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.226
local terms energy: -74.465788
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -215.870799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.870799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.870799 (E_RNA)
where:
Base-Base interactions energy: -139.326
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.125
local terms energy: -76.419492
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -214.988034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988034 (E_RNA)
where:
Base-Base interactions energy: -141.438
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.271
local terms energy: -73.278763
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.647
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -168.364391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.364391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.364391 (E_RNA)
where:
Base-Base interactions energy: -108.226
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.029
local terms energy: -60.109087
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -168.920036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.920036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.920036 (E_RNA)
where:
Base-Base interactions energy: -114.287
where: short stacking energy: -40.501
Base-Backbone interact. energy: -1.208
local terms energy: -53.425065
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.179
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: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -98.752271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.752271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.752271 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -43.691
Base-Backbone interact. energy: -0.073
local terms energy: -54.988585
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -87.680734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.680734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.680734 (E_RNA)
where:
Base-Base interactions energy: -34.518
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.368
local terms energy: -52.795397
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -82.223199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.223199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.223199 (E_RNA)
where:
Base-Base interactions energy: -36.236
where: short stacking energy: -18.237
Base-Backbone interact. energy: 0.659
local terms energy: -46.646312
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -77.711262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.711262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.711262 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.081
local terms energy: -45.977284
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -227.090190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.090190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.090190 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.203
local terms energy: -75.727641
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -225.525754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.525754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.525754 (E_RNA)
where:
Base-Base interactions energy: -154.792
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.122
local terms energy: -70.611460
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -212.311272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.311272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.311272 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -61.553
Base-Backbone interact. energy: 3.855
local terms energy: -68.912888
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -15.900
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: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -213.816566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.816566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.816566 (E_RNA)
where:
Base-Base interactions energy: -146.251
where: short stacking energy: -62.653
Base-Backbone interact. energy: 0.511
local terms energy: -68.076700
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -184.209069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.209069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.209069 (E_RNA)
where:
Base-Base interactions energy: -116.200
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.455
local terms energy: -67.553245
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -165.222919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.222919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.222919 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -47.789
Base-Backbone interact. energy: 0.439
local terms energy: -47.519408
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -99.887005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.887005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.887005 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -31.858
Base-Backbone interact. energy: -0.532
local terms energy: -52.468588
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -109.586114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.586114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.586114 (E_RNA)
where:
Base-Base interactions energy: -58.675
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.100
local terms energy: -50.811613
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.336
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: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -76.230111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230111 (E_RNA)
where:
Base-Base interactions energy: -24.853
where: short stacking energy: -22.469
Base-Backbone interact. energy: -0.097
local terms energy: -51.279581
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -0.948
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: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -104.153887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.153887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.153887 (E_RNA)
where:
Base-Base interactions energy: -47.692
where: short stacking energy: -32.503
Base-Backbone interact. energy: -0.025
local terms energy: -56.436302
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -224.457120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.457120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.457120 (E_RNA)
where:
Base-Base interactions energy: -154.524
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.099
local terms energy: -69.834188
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -216.440011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.440011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.440011 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.414
local terms energy: -66.797889
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -211.834649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.834649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.834649 (E_RNA)
where:
Base-Base interactions energy: -149.116
where: short stacking energy: -60.328
Base-Backbone interact. energy: 1.686
local terms energy: -64.404344
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -202.498122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.498122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.498122 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.580
local terms energy: -69.860342
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -13.203
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: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -205.824346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.824346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.824346 (E_RNA)
where:
Base-Base interactions energy: -134.476
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.330
local terms energy: -71.018699
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -161.808729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.808729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.808729 (E_RNA)
where:
Base-Base interactions energy: -110.055
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.306
local terms energy: -51.447400
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -88.778386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.778386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.778386 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.363
local terms energy: -57.641339
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -84.710774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710774 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -21.452
Base-Backbone interact. energy: -0.313
local terms energy: -51.161489
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -76.315974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.315974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.315974 (E_RNA)
where:
Base-Base interactions energy: -32.325
where: short stacking energy: -28.604
Base-Backbone interact. energy: -0.154
local terms energy: -43.837591
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: 1.922
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -81.772713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772713 (E_RNA)
where:
Base-Base interactions energy: -26.823
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.632
local terms energy: -54.317019
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -229.428131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.428131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.428131 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -72.698
Base-Backbone interact. energy: -0.517
local terms energy: -76.129578
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.010387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.010387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.010387 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -55.559
Base-Backbone interact. energy: 0.072
local terms energy: -74.619029
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -192.768328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.768328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.768328 (E_RNA)
where:
Base-Base interactions energy: -120.222
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.013
local terms energy: -72.533419
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -218.634708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.634708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.634708 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.198
local terms energy: -74.295071
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -173.615694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.615694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.615694 (E_RNA)
where:
Base-Base interactions energy: -115.005
where: short stacking energy: -46.659
Base-Backbone interact. energy: 2.522
local terms energy: -61.132984
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -205.634889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.634889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.634889 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.208
local terms energy: -60.637310
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -10.269
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: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -91.766124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.766124 (E_RNA)
where:
Base-Base interactions energy: -51.835
where: short stacking energy: -31.172
Base-Backbone interact. energy: 0.763
local terms energy: -40.693717
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -77.930858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.930858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.930858 (E_RNA)
where:
Base-Base interactions energy: -33.957
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.088
local terms energy: -43.885868
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -79.648479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.648479 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -22.349
Base-Backbone interact. energy: -0.930
local terms energy: -47.700637
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.652
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: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -74.108107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.108107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.108107 (E_RNA)
where:
Base-Base interactions energy: -28.095
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.109
local terms energy: -45.904492
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -235.714032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.714032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.714032 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.447
local terms energy: -80.719350
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -204.599527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.599527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.599527 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.189
local terms energy: -71.128373
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -11.927
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: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -215.057107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.057107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.057107 (E_RNA)
where:
Base-Base interactions energy: -139.688
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.309
local terms energy: -75.060570
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -185.102373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.102373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.102373 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.465
local terms energy: -69.046368
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -209.229265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.229265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.229265 (E_RNA)
where:
Base-Base interactions energy: -134.654
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.156
local terms energy: -74.419558
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -201.860469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.860469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.860469 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.194
local terms energy: -62.262605
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -8.120
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -95.832419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.832419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.832419 (E_RNA)
where:
Base-Base interactions energy: -47.197
where: short stacking energy: -25.484
Base-Backbone interact. energy: -0.837
local terms energy: -47.798349
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -7.532
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: 487
Temperature: 1.250000
Total energy: -91.109886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109886 (E_RNA)
where:
Base-Base interactions energy: -42.439
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.032
local terms energy: -48.639366
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -77.306649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.306649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.306649 (E_RNA)
where:
Base-Base interactions energy: -29.293
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.065
local terms energy: -47.948750
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -4.324
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: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -76.986597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.986597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.986597 (E_RNA)
where:
Base-Base interactions energy: -22.139
where: short stacking energy: -19.556
Base-Backbone interact. energy: -0.428
local terms energy: -54.419755
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.672
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: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -227.639378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.639378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.639378 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.452
local terms energy: -75.690095
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -198.129944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.129944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.129944 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.049
local terms energy: -71.487352
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -17.447
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -178.284605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.284605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.284605 (E_RNA)
where:
Base-Base interactions energy: -104.647
where: short stacking energy: -51.445
Base-Backbone interact. energy: -0.068
local terms energy: -73.569577
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -9.978
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: 488
Temperature: 1.050000
Total energy: -207.953377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.953377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953377 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.421
local terms energy: -61.233085
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -210.267165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.267165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.267165 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.083
local terms energy: -66.609437
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.338
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: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -175.438300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.438300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.438300 (E_RNA)
where:
Base-Base interactions energy: -111.995
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.250
local terms energy: -63.193998
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -7.403
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -96.641164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641164 (E_RNA)
where:
Base-Base interactions energy: -42.499
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.062
local terms energy: -54.080539
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -93.293738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.293738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.293738 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -36.536
Base-Backbone interact. energy: -0.106
local terms energy: -56.651439
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.023
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: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -92.030763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030763 (E_RNA)
where:
Base-Base interactions energy: -31.503
where: short stacking energy: -31.503
Base-Backbone interact. energy: -0.024
local terms energy: -60.503719
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -80.603529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.603529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.603529 (E_RNA)
where:
Base-Base interactions energy: -27.946
where: short stacking energy: -27.946
Base-Backbone interact. energy: 0.037
local terms energy: -52.694790
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.676
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: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -232.421733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.421733 (E_RNA)
where:
Base-Base interactions energy: -154.953
where: short stacking energy: -67.723
Base-Backbone interact. energy: -2.083
local terms energy: -75.386088
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -203.899917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.899917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.899917 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -67.265
Base-Backbone interact. energy: -0.006
local terms energy: -71.338337
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -18.667
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: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -193.277820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.277820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.277820 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -57.913
Base-Backbone interact. energy: -0.378
local terms energy: -69.397280
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -212.670641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.670641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.670641 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.138
local terms energy: -69.188434
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -206.968711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.968711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.968711 (E_RNA)
where:
Base-Base interactions energy: -136.499
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.232
local terms energy: -70.237905
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -158.956354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.956354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.956354 (E_RNA)
where:
Base-Base interactions energy: -96.744
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.123
local terms energy: -62.088947
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -12.620
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: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -80.556305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.556305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.556305 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.224
local terms energy: -41.280729
where:
bonds (distance) C4'-P energy: -5.267
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -86.608888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.608888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.608888 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.091
local terms energy: -47.990821
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -78.217233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.217233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.217233 (E_RNA)
where:
Base-Base interactions energy: -27.404
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.069
local terms energy: -50.744599
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: 1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -79.196595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.196595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.196595 (E_RNA)
where:
Base-Base interactions energy: -23.565
where: short stacking energy: -23.565
Base-Backbone interact. energy: -0.384
local terms energy: -55.247827
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -230.342379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342379 (E_RNA)
where:
Base-Base interactions energy: -151.663
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.359
local terms energy: -78.319818
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -14.970
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: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -202.147711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.147711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.147711 (E_RNA)
where:
Base-Base interactions energy: -130.392
where: short stacking energy: -63.496
Base-Backbone interact. energy: 0.509
local terms energy: -72.264564
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -220.347460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.347460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.347460 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.090
local terms energy: -66.975192
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -10.897
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: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -196.008379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.008379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.008379 (E_RNA)
where:
Base-Base interactions energy: -126.577
where: short stacking energy: -65.297
Base-Backbone interact. energy: 0.955
local terms energy: -70.386653
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -18.387
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: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -215.267348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.267348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.267348 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -64.375
Base-Backbone interact. energy: -0.726
local terms energy: -67.749021
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -163.689439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.689439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.689439 (E_RNA)
where:
Base-Base interactions energy: -98.556
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.242
local terms energy: -64.891512
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -96.182613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.182613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.182613 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.367
local terms energy: -57.003772
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -1.576
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: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -85.233995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.233995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.233995 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.101
local terms energy: -50.931206
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -6.245
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: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -93.902845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.902845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.902845 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.327
local terms energy: -55.907842
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -13.393
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: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -74.560446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560446 (E_RNA)
where:
Base-Base interactions energy: -23.280
where: short stacking energy: -19.507
Base-Backbone interact. energy: 0.096
local terms energy: -51.376229
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -225.807406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.807406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.807406 (E_RNA)
where:
Base-Base interactions energy: -152.144
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.522
local terms energy: -73.141901
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -218.106165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.106165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.106165 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.139
local terms energy: -70.793895
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -202.231964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231964 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -66.646
Base-Backbone interact. energy: -0.690
local terms energy: -71.505397
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -20.236
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: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -214.426452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.426452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.426452 (E_RNA)
where:
Base-Base interactions energy: -149.386
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.261
local terms energy: -64.779798
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -182.216337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.216337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.216337 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.021
local terms energy: -65.593608
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -8.931
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: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -163.289209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.289209 (E_RNA)
where:
Base-Base interactions energy: -100.351
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.199
local terms energy: -62.739514
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -85.695696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695696 (E_RNA)
where:
Base-Base interactions energy: -25.536
where: short stacking energy: -24.452
Base-Backbone interact. energy: -0.985
local terms energy: -59.174566
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -88.887924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.887924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.887924 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.313
local terms energy: -49.389636
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -82.572006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572006 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.047
local terms energy: -51.590443
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.708
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: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.002298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.002298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.002298 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -30.673
Base-Backbone interact. energy: 1.166
local terms energy: -43.390039
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -9.876
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: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -224.341443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341443 (E_RNA)
where:
Base-Base interactions energy: -148.362
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.094
local terms energy: -75.885721
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -12.157
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: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -226.648890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.648890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.648890 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.231
local terms energy: -74.954775
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -211.176291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.176291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.176291 (E_RNA)
where:
Base-Base interactions energy: -146.110
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.294
local terms energy: -64.772511
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -194.915872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.915872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.915872 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.570
local terms energy: -74.920114
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -182.026185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.026185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.026185 (E_RNA)
where:
Base-Base interactions energy: -111.859
where: short stacking energy: -53.936
Base-Backbone interact. energy: -0.113
local terms energy: -70.054767
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -169.107321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.107321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.107321 (E_RNA)
where:
Base-Base interactions energy: -103.358
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.015
local terms energy: -65.734161
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -99.358774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.358774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.358774 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -40.675
Base-Backbone interact. energy: -0.013
local terms energy: -53.257281
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.044
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: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -76.364805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364805 (E_RNA)
where:
Base-Base interactions energy: -31.487
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.868
local terms energy: -44.009407
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -82.421141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.421141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.421141 (E_RNA)
where:
Base-Base interactions energy: -31.124
where: short stacking energy: -28.333
Base-Backbone interact. energy: 0.226
local terms energy: -51.523320
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -6.195
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: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -78.451346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.451346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.451346 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.113
local terms energy: -45.125983
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -226.198134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.198134 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.104
local terms energy: -75.433021
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -216.015930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.015930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.015930 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -67.593
Base-Backbone interact. energy: -0.252
local terms energy: -68.264250
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -216.752563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.752563 (E_RNA)
where:
Base-Base interactions energy: -150.108
where: short stacking energy: -67.008
Base-Backbone interact. energy: -1.316
local terms energy: -65.328141
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -17.867
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: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -198.033461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033461 (E_RNA)
where:
Base-Base interactions energy: -123.294
where: short stacking energy: -59.236
Base-Backbone interact. energy: -1.649
local terms energy: -73.091028
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -175.132323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.132323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.132323 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -54.652
Base-Backbone interact. energy: -0.692
local terms energy: -67.550314
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -168.725499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725499 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.001
local terms energy: -53.772301
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: 1.074
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -95.596675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.596675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.596675 (E_RNA)
where:
Base-Base interactions energy: -41.091
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.167
local terms energy: -54.339049
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -86.164571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.164571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.164571 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.018
local terms energy: -51.948505
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -7.771
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: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -96.883048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.883048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.883048 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.167
local terms energy: -49.583039
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -75.909963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.909963 (E_RNA)
where:
Base-Base interactions energy: -24.444
where: short stacking energy: -24.444
Base-Backbone interact. energy: 1.049
local terms energy: -52.515699
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.666
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: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -221.052483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.052483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.052483 (E_RNA)
where:
Base-Base interactions energy: -150.376
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.115
local terms energy: -70.561470
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -222.160089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.160089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.160089 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.483
local terms energy: -77.118019
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -218.846612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.846612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.846612 (E_RNA)
where:
Base-Base interactions energy: -155.188
where: short stacking energy: -63.216
Base-Backbone interact. energy: 1.465
local terms energy: -65.123905
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -196.641929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.641929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.641929 (E_RNA)
where:
Base-Base interactions energy: -122.102
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.652
local terms energy: -73.888463
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -161.619668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.619668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.619668 (E_RNA)
where:
Base-Base interactions energy: -98.037
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.026
local terms energy: -63.557364
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -175.077302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.077302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.077302 (E_RNA)
where:
Base-Base interactions energy: -119.708
where: short stacking energy: -52.273
Base-Backbone interact. energy: -1.637
local terms energy: -53.732261
where:
bonds (distance) C4'-P energy: -6.667
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -140.269536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.269536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.269536 (E_RNA)
where:
Base-Base interactions energy: -94.137
where: short stacking energy: -39.434
Base-Backbone interact. energy: -0.422
local terms energy: -45.710589
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -2.022
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -97.503874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.503874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.503874 (E_RNA)
where:
Base-Base interactions energy: -39.769
where: short stacking energy: -39.769
Base-Backbone interact. energy: -0.066
local terms energy: -57.669168
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -12.302
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: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -88.519870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.519870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.519870 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -22.184
Base-Backbone interact. energy: -0.102
local terms energy: -47.228243
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.877
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: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -77.124461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124461 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.210
local terms energy: -45.436214
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -220.474843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.474843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.474843 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.541
local terms energy: -74.652004
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -223.150531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.150531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.150531 (E_RNA)
where:
Base-Base interactions energy: -159.424
where: short stacking energy: -64.284
Base-Backbone interact. energy: -0.587
local terms energy: -63.140082
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -216.044436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044436 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.061
local terms energy: -65.494074
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -178.001210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.001210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001210 (E_RNA)
where:
Base-Base interactions energy: -114.732
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.332
local terms energy: -62.937486
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -161.540847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.540847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.540847 (E_RNA)
where:
Base-Base interactions energy: -93.262
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.007
local terms energy: -68.272427
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -155.921964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.921964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.921964 (E_RNA)
where:
Base-Base interactions energy: -94.869
where: short stacking energy: -40.701
Base-Backbone interact. energy: 0.461
local terms energy: -61.514211
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -155.101298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.101298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.101298 (E_RNA)
where:
Base-Base interactions energy: -100.372
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.065
local terms energy: -54.663800
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -87.759162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.759162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.759162 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.011
local terms energy: -55.613547
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -139.433752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.433752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.433752 (E_RNA)
where:
Base-Base interactions energy: -83.816
where: short stacking energy: -46.817
Base-Backbone interact. energy: -0.032
local terms energy: -55.586005
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.751
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: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -76.949712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949712 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -24.999
Base-Backbone interact. energy: 0.106
local terms energy: -48.151254
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -222.548032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.548032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.548032 (E_RNA)
where:
Base-Base interactions energy: -146.901
where: short stacking energy: -68.085
Base-Backbone interact. energy: 0.014
local terms energy: -75.661660
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.718
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: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -223.489714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.489714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.489714 (E_RNA)
where:
Base-Base interactions energy: -151.985
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.050
local terms energy: -71.455143
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -17.126
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: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -193.291891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.291891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.291891 (E_RNA)
where:
Base-Base interactions energy: -134.788
where: short stacking energy: -63.852
Base-Backbone interact. energy: -1.507
local terms energy: -56.997420
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -212.102815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.102815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.102815 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.103
local terms energy: -73.721537
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -177.487224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.487224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.487224 (E_RNA)
where:
Base-Base interactions energy: -110.893
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.014
local terms energy: -66.580872
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.768
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: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -161.183247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.183247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.183247 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.329
local terms energy: -56.928530
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -97.415217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.415217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.415217 (E_RNA)
where:
Base-Base interactions energy: -40.005
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.262
local terms energy: -57.148282
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -166.654254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.654254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.654254 (E_RNA)
where:
Base-Base interactions energy: -101.192
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.072
local terms energy: -65.390247
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -11.989
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: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -83.478165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478165 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -33.668
Base-Backbone interact. energy: -1.239
local terms energy: -37.875339
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -73.036943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.036943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.036943 (E_RNA)
where:
Base-Base interactions energy: -24.855
where: short stacking energy: -23.369
Base-Backbone interact. energy: -0.188
local terms energy: -47.994008
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.065
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: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -228.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244550 (E_RNA)
where:
Base-Base interactions energy: -155.946
where: short stacking energy: -61.577
Base-Backbone interact. energy: -0.201
local terms energy: -72.097191
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.021
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: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -200.211653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.211653 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -62.972
Base-Backbone interact. energy: 0.466
local terms energy: -67.554384
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -224.970826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.970826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970826 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.377
local terms energy: -73.174348
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -217.973828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.973828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.973828 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.153
local terms energy: -71.061537
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -168.244756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.244756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.244756 (E_RNA)
where:
Base-Base interactions energy: -109.896
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.013
local terms energy: -58.335375
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -139.806838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.806838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.806838 (E_RNA)
where:
Base-Base interactions energy: -78.274
where: short stacking energy: -45.157
Base-Backbone interact. energy: -0.034
local terms energy: -61.498451
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -96.416066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.416066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.416066 (E_RNA)
where:
Base-Base interactions energy: -42.971
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.109
local terms energy: -53.335499
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -152.639662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.639662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.639662 (E_RNA)
where:
Base-Base interactions energy: -87.643
where: short stacking energy: -46.865
Base-Backbone interact. energy: -0.012
local terms energy: -64.984204
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -99.247329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.247329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.247329 (E_RNA)
where:
Base-Base interactions energy: -52.171
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.135
local terms energy: -46.941555
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -81.072202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.072202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.072202 (E_RNA)
where:
Base-Base interactions energy: -33.816
where: short stacking energy: -21.182
Base-Backbone interact. energy: -0.683
local terms energy: -46.572694
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -221.621330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.621330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.621330 (E_RNA)
where:
Base-Base interactions energy: -152.778
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.182
local terms energy: -68.661003
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -13.288
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: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -218.937071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.937071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.937071 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -65.291
Base-Backbone interact. energy: -0.329
local terms energy: -65.894272
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -199.087452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087452 (E_RNA)
where:
Base-Base interactions energy: -146.586
where: short stacking energy: -59.130
Base-Backbone interact. energy: 0.804
local terms energy: -53.305277
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -8.748
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -11.041
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: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -212.364594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364594 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.143
local terms energy: -64.586934
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -166.856382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.856382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.856382 (E_RNA)
where:
Base-Base interactions energy: -102.529
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.041
local terms energy: -64.286523
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -95.502510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502510 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -34.892
Base-Backbone interact. energy: -0.213
local terms energy: -58.841005
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -149.038941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.038941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.038941 (E_RNA)
where:
Base-Base interactions energy: -93.864
where: short stacking energy: -41.742
Base-Backbone interact. energy: -0.227
local terms energy: -54.947944
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -79.482190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.482190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.482190 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.083
local terms energy: -50.179780
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: 3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -81.704989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704989 (E_RNA)
where:
Base-Base interactions energy: -43.503
where: short stacking energy: -23.030
Base-Backbone interact. energy: 5.597
local terms energy: -43.799550
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -75.533997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.533997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.533997 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -23.184
Base-Backbone interact. energy: -0.365
local terms energy: -40.009205
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: 1.526
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -208.677414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.677414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677414 (E_RNA)
where:
Base-Base interactions energy: -137.068
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.247
local terms energy: -71.362242
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -10.236
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: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -223.622651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.622651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.622651 (E_RNA)
where:
Base-Base interactions energy: -153.420
where: short stacking energy: -67.924
Base-Backbone interact. energy: 0.124
local terms energy: -70.327580
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -231.479483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.479483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.479483 (E_RNA)
where:
Base-Base interactions energy: -160.583
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.265
local terms energy: -70.630768
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.387
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: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -180.038128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.038128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.038128 (E_RNA)
where:
Base-Base interactions energy: -111.313
where: short stacking energy: -52.558
Base-Backbone interact. energy: 1.289
local terms energy: -70.013392
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -209.961011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.961011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.961011 (E_RNA)
where:
Base-Base interactions energy: -139.955
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.115
local terms energy: -69.891369
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -153.071454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.071454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.071454 (E_RNA)
where:
Base-Base interactions energy: -93.394
where: short stacking energy: -49.856
Base-Backbone interact. energy: 0.097
local terms energy: -59.774716
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -89.624609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.624609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.624609 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.004
local terms energy: -59.423593
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -86.180418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180418 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -29.925
Base-Backbone interact. energy: 0.238
local terms energy: -47.172245
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -78.910474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.910474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.910474 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.963
local terms energy: -47.286986
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -81.789494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.789494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.789494 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -21.047
Base-Backbone interact. energy: -0.155
local terms energy: -51.844985
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -215.462332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.462332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.462332 (E_RNA)
where:
Base-Base interactions energy: -143.032
where: short stacking energy: -59.607
Base-Backbone interact. energy: 0.679
local terms energy: -73.108836
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -202.519958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.519958 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.808
local terms energy: -71.417652
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -225.272567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.272567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.272567 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.391
local terms energy: -71.615507
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -190.035317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.035317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.035317 (E_RNA)
where:
Base-Base interactions energy: -120.458
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.000
local terms energy: -69.576783
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -209.327376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.327376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.327376 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -61.914
Base-Backbone interact. energy: -0.254
local terms energy: -69.528319
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -157.302038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.302038 (E_RNA)
where:
Base-Base interactions energy: -94.092
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.048
local terms energy: -63.162595
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.776
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: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -94.004979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.004979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.004979 (E_RNA)
where:
Base-Base interactions energy: -38.399
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.291
local terms energy: -55.315522
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -87.954242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954242 (E_RNA)
where:
Base-Base interactions energy: -37.368
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.114
local terms energy: -50.472292
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -78.900623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.900623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.900623 (E_RNA)
where:
Base-Base interactions energy: -26.430
where: short stacking energy: -25.679
Base-Backbone interact. energy: 0.223
local terms energy: -52.693582
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -10.208
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: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -85.567402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567402 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -27.542
Base-Backbone interact. energy: 2.502
local terms energy: -48.948341
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -221.326125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.326125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.326125 (E_RNA)
where:
Base-Base interactions energy: -141.962
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.198
local terms energy: -79.165891
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -226.446243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.446243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.446243 (E_RNA)
where:
Base-Base interactions energy: -157.634
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.316
local terms energy: -68.495463
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -16.497
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: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -206.204388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.204388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.204388 (E_RNA)
where:
Base-Base interactions energy: -135.638
where: short stacking energy: -61.579
Base-Backbone interact. energy: 0.963
local terms energy: -71.529285
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -213.644752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.644752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.644752 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.113
local terms energy: -66.761051
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -202.361766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.361766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.361766 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -54.175
Base-Backbone interact. energy: -0.539
local terms energy: -65.914590
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -11.761
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: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -163.836720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.836720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.836720 (E_RNA)
where:
Base-Base interactions energy: -114.277
where: short stacking energy: -50.007
Base-Backbone interact. energy: 1.058
local terms energy: -50.618345
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -6.324
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: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -89.658599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.658599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.658599 (E_RNA)
where:
Base-Base interactions energy: -38.145
where: short stacking energy: -38.145
Base-Backbone interact. energy: 1.307
local terms energy: -52.819708
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -92.043132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043132 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -35.939
Base-Backbone interact. energy: -0.313
local terms energy: -55.791307
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -79.797712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.797712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.797712 (E_RNA)
where:
Base-Base interactions energy: -27.767
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.250
local terms energy: -51.780167
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -76.361527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.361527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.361527 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -18.406
Base-Backbone interact. energy: -0.439
local terms energy: -41.601914
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 22331911
moves confirmed later: 27102989
all moves confirmed: 49434900
percent of confirmed moves: 6.179362
current total energy: -206.312182
recalc. total energy: -206.312182
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 10793022
moves confirmed later: 11624834
all moves confirmed: 22417856
percent of confirmed moves: 2.802232
current total energy: -166.993088
recalc. total energy: -166.993088
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 12870944
moves confirmed later: 14617816
all moves confirmed: 27488760
percent of confirmed moves: 3.436095
current total energy: -174.919795
recalc. total energy: -174.919795
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14898466
moves confirmed later: 17253416
all moves confirmed: 32151882
percent of confirmed moves: 4.018985
current total energy: -148.157568
recalc. total energy: -148.157568
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 23529741
moves confirmed later: 28659102
all moves confirmed: 52188843
percent of confirmed moves: 6.523605
current total energy: -184.243373
recalc. total energy: -184.243373
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 21904791
moves confirmed later: 26510009
all moves confirmed: 48414800
percent of confirmed moves: 6.051850
current total energy: -133.052792
recalc. total energy: -133.052792
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 16071282
moves confirmed later: 18777870
all moves confirmed: 34849152
percent of confirmed moves: 4.356144
current total energy: -37.582371
recalc. total energy: -37.582371
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24478131
moves confirmed later: 29950809
all moves confirmed: 54428940
percent of confirmed moves: 6.803617
current total energy: -57.502995
recalc. total energy: -57.502995
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 20388602
moves confirmed later: 24483046
all moves confirmed: 44871648
percent of confirmed moves: 5.608956
current total energy: -49.733648
recalc. total energy: -49.733648
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 12905118
moves confirmed later: 14449227
all moves confirmed: 27354345
percent of confirmed moves: 3.419293
current total energy: -25.259638
recalc. total energy: -25.259638
out arg RESULTS//1/WV-kun-137c79c3_01
Time of doing 8000000 iterations: 3468.445 seconds